 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer05_STD_B3LYPDBJ_augccpVDZ.in
 Output=10_L-serine_conformer05_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-204958.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    204979.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer05_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:16 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.143775000000     -0.674095000000     -0.437636000000
  C                                                -0.192819000000      0.114958000000      0.470853000000
  C                                                 1.243923000000     -0.263455000000      0.087563000000
  O                                                 1.874804000000      0.673356000000     -0.628783000000
  O                                                -2.504247000000     -0.351006000000     -0.184987000000
  N                                                -0.416115000000      1.547904000000      0.283938000000
  O                                                 1.734731000000     -1.321804000000      0.371413000000
  H                                                -0.341797000000     -0.217774000000      1.503620000000
  H                                                -0.962424000000     -0.398578000000     -1.477959000000
  H                                                -0.944875000000     -1.741017000000     -0.322569000000
  H                                                 1.241903000000      1.425342000000     -0.687718000000
  H                                                -1.387261000000      1.719755000000      0.048304000000
  H                                                -0.202584000000      2.074274000000      1.121954000000
  H                                                -2.776443000000     -0.766154000000      0.640980000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533713   0.000000
     3  C    2.479024   1.534384   0.000000
     4  O    3.311190   2.407503   1.337452   0.000000
     5  O    1.420951   2.447437   3.759086   4.519111   0.000000
     6  N    2.446924   1.462235   2.464815   2.616525   2.861127
     7  O    3.059393   2.406163   1.200652   2.236219   4.384172
     8  H    2.149389   1.095223   2.126455   3.202277   2.746877
     9  H    1.091361   2.157285   2.708705   3.149604   2.012774
    10  H    1.091386   2.154008   2.672496   3.724722   2.093490
    11  H    3.187732   2.262260   1.858252   0.984642   4.176337
    12  H    2.454779   2.044655   3.295116   3.492058   2.364346
    13  H    3.297225   2.064691   2.937231   3.056664   3.589949
    14  H    1.958952   2.735035   4.089293   5.031758   0.963670
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.587341   0.000000
     8  H    2.147269   2.610123   0.000000
     9  H    2.681702   3.398112   3.050849   0.000000
    10  H    3.385918   2.799578   2.453353   1.771264   0.000000
    11  H    1.925658   2.985205   3.163842   2.968202   3.865380
    12  H    1.013992   4.370619   2.639121   2.645241   3.508589
    13  H    1.012389   3.981187   2.327774   3.667683   4.146575
    14  H    3.324679   4.553252   2.640524   2.813482   2.287668
                   11         12         13         14
    11  H    0.000000
    12  H    2.746072   0.000000
    13  H    2.404697   1.637641   0.000000
    14  H    4.766046   2.908751   3.863175   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.91D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5014835           1.8258175           1.4640838
 Leave Link  202 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       323.3201492639 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0187212588 Hartrees.
 Nuclear repulsion after empirical dispersion term =      323.3014280050 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.79D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -399.043130616797    
 DIIS: error= 2.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -399.043130616797     IErMin= 1 ErrMin= 2.08D-03
 ErrMax= 2.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.33D-03 BMatP= 5.33D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 GapD=    0.267 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.70D-03 MaxDP=2.61D-01              OVMax= 1.98D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.69D-03    CP:  1.01D+00
 E= -399.048469157068     Delta-E=       -0.005338540272 Rises=F Damp=F
 DIIS: error= 4.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -399.048469157068     IErMin= 2 ErrMin= 4.71D-04
 ErrMax= 4.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-04 BMatP= 5.33D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.71D-03
 Coeff-Com:  0.110D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.110D-01 0.989D+00
 Gap=     0.246 Goal=   None    Shift=    0.000
 RMSDP=4.32D-04 MaxDP=2.04D-02 DE=-5.34D-03 OVMax= 4.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.14D-04    CP:  1.01D+00  1.03D+00
 E= -399.048291557025     Delta-E=        0.000177600044 Rises=F Damp=F
 DIIS: error= 7.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -399.048469157068     IErMin= 2 ErrMin= 4.71D-04
 ErrMax= 7.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-04 BMatP= 1.56D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.162D-01 0.634D+00 0.382D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:     -0.436D-02 0.673D+00 0.331D+00
 Gap=     0.244 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=6.13D-03 DE= 1.78D-04 OVMax= 3.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.72D-05    CP:  1.01D+00  1.04D+00  8.07D-01
 E= -399.048588075241     Delta-E=       -0.000296518216 Rises=F Damp=F
 DIIS: error= 7.93D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -399.048588075241     IErMin= 4 ErrMin= 7.93D-05
 ErrMax= 7.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-06 BMatP= 1.56D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.794D-02 0.283D+00 0.120D+00 0.604D+00
 Coeff:     -0.794D-02 0.283D+00 0.120D+00 0.604D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=2.31D-05 MaxDP=1.29D-03 DE=-2.97D-04 OVMax= 7.87D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.02D-05    CP:  1.01D+00  1.04D+00  8.09D-01  1.10D+00
 E= -399.048591419257     Delta-E=       -0.000003344016 Rises=F Damp=F
 DIIS: error= 4.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -399.048591419257     IErMin= 5 ErrMin= 4.25D-05
 ErrMax= 4.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-06 BMatP= 5.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-02 0.484D-01-0.246D-02 0.405D+00 0.551D+00
 Coeff:     -0.194D-02 0.484D-01-0.246D-02 0.405D+00 0.551D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=9.60D-06 MaxDP=4.73D-04 DE=-3.34D-06 OVMax= 4.84D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.43D-06    CP:  1.01D+00  1.04D+00  8.20D-01  1.14D+00  8.21D-01
 E= -399.048592386041     Delta-E=       -0.000000966784 Rises=F Damp=F
 DIIS: error= 1.07D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -399.048592386041     IErMin= 6 ErrMin= 1.07D-05
 ErrMax= 1.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 1.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.360D-03-0.871D-03-0.130D-01 0.171D+00 0.319D+00 0.525D+00
 Coeff:     -0.360D-03-0.871D-03-0.130D-01 0.171D+00 0.319D+00 0.525D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=3.29D-06 MaxDP=1.14D-04 DE=-9.67D-07 OVMax= 1.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.96D-06    CP:  1.01D+00  1.04D+00  8.22D-01  1.15D+00  8.02D-01
                    CP:  7.09D-01
 E= -399.048592491558     Delta-E=       -0.000000105517 Rises=F Damp=F
 DIIS: error= 1.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -399.048592491558     IErMin= 7 ErrMin= 1.57D-06
 ErrMax= 1.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-09 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-04-0.398D-02-0.452D-02 0.359D-01 0.796D-01 0.184D+00
 Coeff-Com:  0.709D+00
 Coeff:      0.216D-04-0.398D-02-0.452D-02 0.359D-01 0.796D-01 0.184D+00
 Coeff:      0.709D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=6.04D-07 MaxDP=1.94D-05 DE=-1.06D-07 OVMax= 1.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.27D-07    CP:  1.01D+00  1.04D+00  8.23D-01  1.15D+00  8.09D-01
                    CP:  7.40D-01  9.32D-01
 E= -399.048592493475     Delta-E=       -0.000000001918 Rises=F Damp=F
 DIIS: error= 4.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -399.048592493475     IErMin= 8 ErrMin= 4.75D-07
 ErrMax= 4.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-10 BMatP= 2.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-04-0.152D-02-0.118D-02 0.682D-02 0.164D-01 0.496D-01
 Coeff-Com:  0.308D+00 0.622D+00
 Coeff:      0.213D-04-0.152D-02-0.118D-02 0.682D-02 0.164D-01 0.496D-01
 Coeff:      0.308D+00 0.622D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.63D-07 MaxDP=6.47D-06 DE=-1.92D-09 OVMax= 3.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.29D-07    CP:  1.01D+00  1.04D+00  8.23D-01  1.15D+00  8.10D-01
                    CP:  7.44D-01  9.49D-01  8.54D-01
 E= -399.048592493622     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 1.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -399.048592493622     IErMin= 9 ErrMin= 1.57D-07
 ErrMax= 1.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-11 BMatP= 2.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-04-0.360D-03-0.126D-03-0.310D-03-0.564D-03 0.494D-02
 Coeff-Com:  0.803D-01 0.318D+00 0.599D+00
 Coeff:      0.108D-04-0.360D-03-0.126D-03-0.310D-03-0.564D-03 0.494D-02
 Coeff:      0.803D-01 0.318D+00 0.599D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=4.99D-08 MaxDP=2.39D-06 DE=-1.47D-10 OVMax= 1.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.67D-08    CP:  1.01D+00  1.04D+00  8.23D-01  1.15D+00  8.10D-01
                    CP:  7.45D-01  9.54D-01  8.82D-01  8.05D-01
 E= -399.048592493689     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 4.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -399.048592493689     IErMin=10 ErrMin= 4.60D-08
 ErrMax= 4.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 3.28D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.309D-05-0.665D-04 0.223D-04-0.593D-03-0.142D-02-0.860D-03
 Coeff-Com:  0.195D-01 0.112D+00 0.286D+00 0.585D+00
 Coeff:      0.309D-05-0.665D-04 0.223D-04-0.593D-03-0.142D-02-0.860D-03
 Coeff:      0.195D-01 0.112D+00 0.286D+00 0.585D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=4.77D-07 DE=-6.74D-11 OVMax= 2.60D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  1.01D+00  1.04D+00  8.23D-01  1.15D+00  8.10D-01
                    CP:  7.45D-01  9.54D-01  8.87D-01  8.00D-01  9.13D-01
 E= -399.048592493651     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 1.36D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -399.048592493689     IErMin=11 ErrMin= 1.36D-08
 ErrMax= 1.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-13 BMatP= 1.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.511D-06-0.299D-06 0.183D-04-0.220D-03-0.518D-03-0.694D-03
 Coeff-Com:  0.154D-02 0.178D-01 0.676D-01 0.270D+00 0.645D+00
 Coeff:      0.511D-06-0.299D-06 0.183D-04-0.220D-03-0.518D-03-0.694D-03
 Coeff:      0.154D-02 0.178D-01 0.676D-01 0.270D+00 0.645D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=4.74D-09 MaxDP=3.24D-07 DE= 3.83D-11 OVMax= 8.16D-08

 SCF Done:  E(RB3LYP) =  -399.048592494     A.U. after   11 cycles
            NFock= 11  Conv=0.47D-08     -V/T= 2.0059
 KE= 3.967233117030D+02 PE=-1.581942676654D+03 EE= 4.628693444523D+02
 Leave Link  502 at Thu Aug 12 19:35:51 2021, MaxMem=  5368709120 cpu:             255.6 elap:              32.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.51072862D+02

 Leave Link  801 at Thu Aug 12 19:35:51 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 3.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 3.41D-01 7.30D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 3.88D-02 2.31D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.48D-03 5.61D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 3.32D-05 1.07D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 7.13D-07 1.08D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.07D-08 1.23D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 8.86D-11 1.19D-06.
      8 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 4.65D-13 1.09D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.678099D+02
      2 -0.180113D+01  0.642185D+02
      3 -0.246785D+01 -0.278526D+01  0.524987D+02
 Isotropic polarizability for W=    0.088559       61.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.316555D+02 -0.145302D+02 -0.887836D+01
      2   0.200745D+02  0.120664D+02  0.353950D+01
      3   0.115810D+02  0.246381D+01  0.533886D+01
      4  -0.110881D+02  0.677193D+01 -0.160105D+02
      5  -0.588667D+00 -0.168802D+02 -0.177546D+02
      6  -0.754014D+01  0.110041D+02  0.615153D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.309621D+01  0.761375D+00 -0.129320D+01
      2  -0.264781D+01 -0.622663D+01 -0.107428D+02
      3   0.719447D+01 -0.273184D+01  0.375782D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.869672D+00  0.746456D+01 -0.368773D+01
      2  -0.828970D+01 -0.847038D+01 -0.293356D+02
      3   0.344210D+01  0.133026D+02  0.934005D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.145182D+01  0.368468D+00 -0.150602D+01
      2   0.368468D+00  0.130942D+01  0.136454D+01
      3  -0.150602D+01  0.136454D+01  0.769804D+00
 OR G Eigenvalues:    -2.4670     0.5292     2.5652  Iso=    -0.2091
 Eigenvectors:
   (1)   0.828987  -0.259831   0.495245
   (2)   0.523879   0.670767  -0.524997
   (3)  -0.195783   0.694665   0.692178
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2091 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -100.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 8.47D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 5.02D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.31D-02 4.11D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 2.90D-04 2.15D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 3.15D-06 2.29D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.61D-08 1.72D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 4.06D-11 6.28D-07.
     22 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 7.19D-14 2.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   202 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.68D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.68D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.75D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.678099D+02 -0.180113D+01 -0.246785D+01
      2  -0.180113D+01  0.642185D+02 -0.278526D+01
      3  -0.246785D+01 -0.278526D+01  0.524987D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.309621D+01  0.761375D+00 -0.129320D+01
      2  -0.264781D+01 -0.622663D+01 -0.107428D+02
      3   0.719447D+01 -0.273184D+01  0.375782D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.316555D+02 -0.145302D+02 -0.887836D+01
      2   0.200745D+02  0.120664D+02  0.353950D+01
      3   0.115810D+02  0.246381D+01  0.533886D+01
      4  -0.110881D+02  0.677193D+01 -0.160105D+02
      5  -0.588667D+00 -0.168802D+02 -0.177546D+02
      6  -0.754014D+01  0.110041D+02  0.615153D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.996961D+00 -0.103558D+01 -0.643591D+00 -0.406609D+01 -0.211505D+01
      2  -0.103558D+01 -0.294889D+01 -0.591606D+00 -0.211505D+01  0.518111D+01
      3  -0.643591D+00 -0.591606D+00 -0.265516D+01 -0.685799D+00 -0.154371D+00
                 6             7             8             9            10 
      1  -0.685799D+00 -0.357900D+01 -0.432603D+00 -0.188332D+01  0.530950D+00
      2  -0.154371D+00 -0.432603D+00 -0.139629D+01 -0.136949D+01  0.158279D+01
      3  -0.217963D+01 -0.188332D+01 -0.136949D+01  0.620984D+01  0.190620D+01
                11            12            13            14            15 
      1   0.158279D+01  0.190620D+01  0.302516D+01  0.149878D+01  0.354484D+00
      2   0.181816D+01  0.140065D+00  0.149878D+01 -0.256406D+01 -0.864125D+00
      3   0.140065D+00  0.122232D+01  0.354484D+00 -0.864125D+00  0.270323D+01
                16            17            18            19            20 
      1   0.335987D+01 -0.373986D+00  0.168796D+01  0.136128D+01 -0.139120D+00
      2  -0.373986D+00 -0.165364D+00  0.375853D+01 -0.139120D+00 -0.202792D+01
      3   0.168796D+01  0.375853D+01 -0.624782D+01 -0.132191D+01  0.141191D+01
                21            22            23            24            25 
      1  -0.132191D+01  0.289292D+01 -0.353829D+01  0.176476D+01  0.615004D+00
      2   0.141191D+01 -0.353829D+01  0.471407D+01 -0.433780D+00  0.229518D+01
      3   0.218997D+00  0.176476D+01 -0.433780D+00 -0.196854D-01 -0.251987D+00
                26            27            28            29            30 
      1   0.229518D+01 -0.251987D+00  0.637318D+01  0.101598D+01 -0.217280D+01
      2  -0.765466D+00 -0.739307D+00  0.101598D+01  0.316983D+01 -0.633685D+00
      3  -0.739307D+00  0.784057D+00 -0.217280D+01 -0.633685D+00  0.140630D+01
                31            32            33            34            35 
      1  -0.167434D+01  0.398872D+01  0.417724D+00 -0.207753D+01 -0.115828D+01
      2   0.398872D+01 -0.171716D+00 -0.708380D+00 -0.115828D+01 -0.238988D+00
      3   0.417724D+00 -0.708380D+00  0.153440D+00  0.155678D+01  0.140542D+01
                36            37            38            39            40 
      1   0.155678D+01 -0.672455D+01  0.343619D+00 -0.190028D+01  0.266606D+01
      2   0.140542D+01  0.343619D+00  0.178681D+00 -0.462960D+00 -0.491671D+00
      3  -0.279415D+01 -0.190028D+01 -0.462960D+00  0.145134D+01 -0.739994D+00
                41            42            43            44            45 
      1  -0.491671D+00 -0.739994D+00 -0.337957D+01 -0.837629D+00  0.741926D+00
      2   0.756032D+00 -0.702884D+00 -0.837629D+00 -0.129253D+01  0.140588D+01
      3  -0.702884D+00  0.205259D+01  0.741926D+00  0.140588D+01 -0.416333D+01
                46            47            48            49            50 
      1   0.440865D+01 -0.981057D+00  0.602898D-02 -0.512833D+00 -0.279517D+00
      2  -0.981057D+00  0.577255D+00  0.890446D-01 -0.279517D+00  0.278799D+01
      3   0.602898D-02  0.890446D-01 -0.127020D+01 -0.410676D+00 -0.132816D+01
                51            52            53            54            55 
      1  -0.410676D+00  0.122070D+00 -0.430988D+00 -0.125687D+01  0.498924D+01
      2  -0.132816D+01 -0.430988D+00 -0.317485D+01 -0.240212D+01 -0.391440D+01
      3  -0.215069D+01 -0.125687D+01 -0.240212D+01 -0.206596D+01  0.155794D+01
                56            57            58            59            60 
      1  -0.391440D+01  0.155794D+01 -0.605973D+01  0.396584D+01 -0.892921D+00
      2   0.331631D+01 -0.106572D+01  0.396584D+01 -0.106171D+02  0.151745D+01
      3  -0.106572D+01  0.102159D+01 -0.892921D+00  0.151745D+01 -0.227867D+01
                61            62            63            64            65 
      1   0.125081D+01 -0.853994D+00  0.203926D+01 -0.549007D+00 -0.698410D+00
      2  -0.853994D+00  0.116666D+01 -0.277535D+01 -0.698410D+00 -0.656661D+00
      3   0.203926D+01 -0.277535D+01  0.206745D+01  0.110532D+01  0.122068D+00
                66            67            68            69            70 
      1   0.110532D+01 -0.131101D+01 -0.637703D+00  0.226301D+00  0.113925D+01
      2   0.122068D+00 -0.637703D+00 -0.134226D+01  0.173578D+01  0.242462D+00
      3  -0.118486D+01  0.226301D+00  0.173578D+01 -0.214141D+01 -0.909653D+00
                71            72            73            74            75 
      1   0.242462D+00 -0.909653D+00 -0.987790D-01  0.330498D+00 -0.891630D+00
      2   0.250558D+01 -0.229855D+01  0.330498D+00  0.299160D+00  0.118226D+00
      3  -0.229855D+01  0.814537D+01 -0.891630D+00  0.118226D+00  0.108669D+01
                76            77            78            79            80 
      1   0.131765D+01  0.392555D+00  0.868864D-01 -0.144945D+01 -0.133108D+00
      2   0.392555D+00  0.145538D+00 -0.983623D+00 -0.133108D+00 -0.119214D+01
      3   0.868864D-01 -0.983623D+00  0.178351D+01  0.161818D+00  0.118885D+00
                81            82            83            84            85 
      1   0.161818D+00  0.638511D+00 -0.968516D+00  0.102669D+00 -0.139533D+01
      2   0.118885D+00 -0.968516D+00  0.103888D+01  0.259755D+00  0.609991D+00
      3  -0.811747D+01  0.102669D+00  0.259755D+00  0.431093D+00  0.528590D-01
                86            87            88            89            90 
      1   0.609991D+00  0.528590D-01  0.958923D+00  0.104964D+00  0.282677D+00
      2  -0.823743D+01 -0.680838D+00  0.104964D+00  0.595133D+00 -0.894839D+00
      3  -0.680838D+00 -0.917200D+00  0.282677D+00 -0.894839D+00 -0.459153D+00
                91            92            93            94            95 
      1  -0.276923D+01  0.188644D+01  0.100014D+01  0.393509D+01 -0.570309D+00
      2   0.188644D+01 -0.126436D+01 -0.653274D-01 -0.570309D+00  0.445515D+01
      3   0.100014D+01 -0.653274D-01 -0.322083D+00 -0.117076D+01 -0.983861D+00
                96            97            98            99           100 
      1  -0.117076D+01  0.128297D-01 -0.137940D+00  0.339422D+00 -0.674657D+01
      2  -0.983861D+00 -0.137940D+00 -0.102033D+01  0.939649D+00  0.245322D+01
      3   0.155389D+01  0.339422D+00  0.939649D+00 -0.159207D+01 -0.686662D+00
               101           102           103           104           105 
      1   0.245322D+01 -0.686662D+00  0.216864D+01 -0.174421D+01 -0.139741D+00
      2  -0.367262D+01 -0.163393D+00 -0.174421D+01  0.157935D+01  0.299745D-01
      3  -0.163393D+00 -0.113940D+01 -0.139741D+00  0.299745D-01  0.501793D+00
               106           107           108           109           110 
      1  -0.176448D+01  0.279473D+00 -0.295746D+00  0.500427D+00  0.785552D+00
      2   0.279473D+00 -0.639281D+00  0.562858D+00  0.785552D+00  0.100618D+01
      3  -0.295746D+00  0.562858D+00 -0.368479D+00  0.472963D+00  0.419502D+00
               111           112           113           114           115 
      1   0.472963D+00  0.741111D+00  0.144309D+00  0.466562D-01  0.824764D+00
      2   0.419502D+00  0.144309D+00  0.440791D+01  0.248008D+01  0.324284D+00
      3   0.148318D+01  0.466562D-01  0.248008D+01  0.291755D+01  0.650010D+00
               116           117           118           119           120 
      1   0.324284D+00  0.650010D+00 -0.291106D+01 -0.661033D+00  0.146560D+01
      2   0.400284D+01  0.370014D+01 -0.661033D+00 -0.834012D+00  0.422113D+00
      3   0.370014D+01  0.402494D+01  0.146560D+01  0.422113D+00 -0.174980D+01
               121           122           123           124           125 
      1  -0.172731D+01 -0.122344D+01  0.109022D+01  0.396650D+01  0.111217D+01
      2  -0.122344D+01 -0.109455D+01  0.107674D+01  0.111217D+01  0.161501D+01
      3   0.109022D+01  0.107674D+01 -0.197871D+01 -0.286228D+01 -0.141171D+01
               126 
      1  -0.286228D+01
      2  -0.141171D+01
      3   0.457677D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.628400D+00  0.131709D+01 -0.961137D+00 -0.965512D+00 -0.610603D+01
      2   0.579023D+00 -0.103360D+00  0.156282D+01  0.149453D+01 -0.791171D+00
      3  -0.219874D+01  0.195556D+01  0.709783D+00  0.470620D+01  0.793866D+01
                 6             7             8             9            10 
      1  -0.403227D+01 -0.896311D+00  0.144814D+01  0.605218D+01  0.393242D+00
      2   0.160435D+01 -0.185316D+01  0.393559D+00 -0.772338D+01  0.818225D+01
      3   0.930518D+00  0.152763D+01 -0.160080D+00 -0.184081D+00 -0.947228D+00
                11            12            13            14            15 
      1   0.363252D+00 -0.402158D+00 -0.299518D+01 -0.124007D+01  0.223124D+01
      2   0.881893D+00  0.318673D+01 -0.202449D+01 -0.497241D+00 -0.449726D+00
      3  -0.615870D+01 -0.157738D+01 -0.958512D+00 -0.261111D+01  0.255749D+01
                16            17            18            19            20 
      1   0.532718D+00  0.369022D+01  0.114250D+00  0.217226D+01  0.161432D+01
      2  -0.597364D+01  0.225488D+00  0.189242D+01 -0.105263D+02 -0.713155D+00
      3  -0.600341D+00 -0.321320D+00 -0.127177D+00  0.708629D+01  0.235094D+01
                21            22            23            24            25 
      1  -0.327074D+01  0.222327D+01  0.661055D+01  0.514078D+01  0.853017D+00
      2  -0.398503D+01 -0.335989D+01 -0.611207D+00  0.371439D+01 -0.144360D+02
      3  -0.212396D+00  0.555057D+01 -0.107047D+02 -0.221696D+01  0.251718D+01
                26            27            28            29            30 
      1   0.632569D+01 -0.709416D+01  0.242701D+01 -0.510747D+01 -0.249443D+01
      2   0.986102D+00  0.549784D+01  0.420035D+01 -0.336034D+01  0.639241D+01
      3  -0.209121D+01 -0.922948D+00  0.731819D+01 -0.143861D+02 -0.100217D+00
                31            32            33            34            35 
      1  -0.497069D+01  0.213791D+01 -0.260960D+01 -0.123056D+01  0.285584D+01
      2  -0.138025D+01  0.158582D+01  0.454852D-01  0.328084D+01  0.152018D+01
      3  -0.103116D+02  0.635818D+01  0.285647D+01 -0.146668D+01  0.109132D+01
                36            37            38            39            40 
      1   0.220763D+01 -0.506254D+00  0.135964D+00 -0.257123D+00  0.174899D+01
      2  -0.635730D+01  0.200888D+01  0.221901D+01  0.224357D+01  0.189554D+01
      3  -0.170179D+01  0.713297D+01 -0.789946D+01 -0.210708D+01  0.182591D+01
                41            42            43            44            45 
      1   0.672128D+00 -0.196794D+01 -0.138576D+01  0.148895D+01 -0.233017D+01
      2   0.170174D+01 -0.558853D+01 -0.788436D+01 -0.409624D+01  0.128118D+02
      3   0.487490D+01 -0.221470D+01 -0.186029D+01 -0.374457D+01  0.431185D+01
                46            47            48            49            50 
      1  -0.186556D+01  0.686318D+00  0.231808D+01  0.134759D+01  0.711111D+01
      2  -0.437267D+00 -0.418029D+00  0.333221D+01 -0.684781D-01  0.638941D+00
      3   0.125740D+02 -0.745672D+01  0.140640D+01  0.382158D+01  0.137585D+01
                51            52            53            54            55 
      1  -0.172167D+01  0.174215D+01  0.991578D+01  0.584043D+01 -0.854220D+00
      2   0.765164D+00 -0.322566D+01  0.603829D+00 -0.675175D-01  0.142442D+01
      3  -0.141159D+01  0.210308D+01 -0.959759D+00 -0.316077D+01 -0.132855D+01
                56            57            58            59            60 
      1   0.100326D+01  0.470525D+01  0.213519D+00 -0.319836D+01 -0.929365D+01
      2  -0.657824D+00  0.627421D+01  0.408780D+01  0.176465D+01 -0.574238D+01
      3  -0.775679D+01  0.149785D+01  0.511010D+01  0.165224D+02 -0.139468D+01
                61            62            63            64            65 
      1  -0.259663D+00  0.223744D+01  0.245964D+01  0.114885D+00 -0.720125D+00
      2   0.216010D+01 -0.409454D+01  0.179744D+01 -0.256723D+00  0.172463D-02
      3  -0.777662D+00 -0.740447D+00  0.451370D+01 -0.671769D+00 -0.423539D+00
                66            67            68            69            70 
      1  -0.171005D+00  0.387856D+00 -0.121518D+01 -0.740402D+00 -0.386159D+00
      2   0.100143D+01  0.794557D+00  0.175408D+00  0.647162D+00 -0.291518D+01
      3   0.425394D+00  0.230922D+01 -0.233153D-01 -0.255854D+00 -0.105028D+01
                71            72            73            74            75 
      1   0.377402D+01  0.142574D+01 -0.145631D+01 -0.677464D+00  0.423778D+00
      2   0.369909D+00 -0.108946D+01  0.167273D+01  0.221353D+00 -0.685205D+00
      3   0.982504D+00  0.149083D+00  0.214420D+00 -0.898595D+00  0.589505D+00
                76            77            78            79            80 
      1  -0.449923D+00 -0.107837D+01  0.115345D+01  0.199508D+00  0.364169D+01
      2   0.101418D+01  0.144371D+01 -0.198166D+01 -0.425895D+01 -0.473220D+00
      3   0.231443D+00 -0.386380D-01 -0.114447D+01  0.609584D+00 -0.908048D+00
                81            82            83            84            85 
      1  -0.644075D+01  0.142617D+01 -0.297691D+00  0.586277D+00 -0.312721D+00
      2   0.895921D+01  0.357633D+00 -0.498591D+00  0.462066D+00 -0.995058D+00
      3   0.338796D-01 -0.316198D+01  0.129571D+01 -0.339073D+00  0.560249D+01
                86            87            88            89            90 
      1   0.450871D+01 -0.328110D+01  0.365517D+00 -0.377764D+00  0.132228D+00
      2   0.150378D+01  0.684196D+00 -0.101235D+01  0.739814D+00  0.633886D+00
      3  -0.871649D+01 -0.736492D+00 -0.129504D+01  0.291640D+00 -0.106998D+01
                91            92            93            94            95 
      1  -0.391179D+01  0.422453D+01  0.229697D+00  0.489351D+01 -0.358205D+01
      2  -0.394891D+01  0.304735D+01 -0.180327D+01  0.203216D+01 -0.361656D+01
      3  -0.943600D+01  0.952733D+01  0.132349D+01  0.119118D+02 -0.124903D+02
                96            97            98            99           100 
      1  -0.229774D+01 -0.271418D+00  0.802711D+00  0.154221D+01  0.264196D+01
      2   0.221643D+01 -0.201304D+01  0.210166D+01 -0.214315D+00  0.570989D+00
      3  -0.676247D+00  0.589457D+00  0.283410D+00 -0.742061D+00 -0.153801D+02
               101           102           103           104           105 
      1  -0.111858D+01  0.296569D+01 -0.486625D-01  0.101742D+01 -0.979507D+00
      2  -0.223821D+00  0.236548D+01  0.965282D-01  0.454024D+00 -0.905559D+00
      3  -0.333985D+00 -0.167990D+01  0.250618D+01 -0.230137D+01 -0.720997D+00
               106           107           108           109           110 
      1   0.454651D+00 -0.432147D+00  0.924154D+00 -0.241908D+00 -0.121285D+01
      2  -0.535493D+00 -0.519461D+00  0.347845D+00 -0.427952D+00 -0.118547D+00
      3  -0.418530D+01  0.206554D+00  0.240147D+00  0.934706D+00  0.667779D+00
               111           112           113           114           115 
      1  -0.315141D+01  0.153967D+00 -0.380159D+01 -0.647751D+01 -0.964794D+00
      2  -0.214253D+00 -0.671359D+00 -0.725871D+00 -0.847993D+00 -0.206245D+01
      3   0.235568D+00  0.292230D+01  0.101690D+01  0.459558D+00  0.220900D+01
               116           117           118           119           120 
      1  -0.488110D+01 -0.811808D+01  0.288913D+00 -0.210553D+00 -0.520773D+00
      2  -0.952636D+00 -0.747992D+00 -0.463280D+01 -0.167037D+01  0.611562D+01
      3   0.136686D+01  0.224210D+01 -0.123552D+01 -0.259307D+01  0.122031D+01
               121           122           123           124           125 
      1   0.761276D-02 -0.443462D+00 -0.137288D+01  0.346476D+00  0.162013D+01
      2  -0.291577D+01 -0.302603D+01  0.583868D+01  0.682444D+01  0.409621D+01
      3  -0.132275D+01 -0.210166D+01  0.273402D+01  0.167966D+01  0.470315D+01
               126 
      1   0.189242D+01
      2  -0.145066D+02
      3  -0.358196D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227199D+02 -0.301567D+01 -0.297795D+01  0.444595D+01  0.161315D+02
      2   0.106980D+02  0.454798D+01 -0.733092D+00 -0.162664D+00 -0.214721D+02
      3   0.120219D+02 -0.153231D+01  0.371105D+01 -0.428329D+01  0.534055D+01
      4  -0.224044D+00 -0.163002D+01  0.879176D+00  0.925115D+01 -0.610194D+01
      5  -0.219483D+01  0.230920D+00 -0.227597D+01  0.176318D+01  0.992423D+00
      6   0.265876D+01  0.214759D+01  0.253175D+01  0.185668D+01 -0.238998D+00
                 6             7             8             9            10 
      1  -0.338222D+00  0.396873D+01 -0.906269D+00  0.136541D+02 -0.246954D+01
      2  -0.266773D+01 -0.230327D+01 -0.901232D+00  0.307908D+01  0.349968D+01
      3   0.300595D+01 -0.166546D+01  0.180750D+01 -0.167332D+02 -0.103014D+01
      4   0.688167D+00  0.498005D+01  0.299191D+01  0.583360D+01 -0.344940D+01
      5   0.355107D+01  0.646616D+01  0.253229D+01 -0.120258D+02  0.110369D+01
      6   0.306843D+01  0.305581D+01  0.152905D+01 -0.214221D+01 -0.222840D+01
                11            12            13            14            15 
      1  -0.202879D+01  0.315214D+00  0.591026D+00  0.713919D+01 -0.528439D+01
      2   0.405672D+01 -0.163158D+01  0.172870D+01 -0.578705D+01 -0.322726D+01
      3  -0.202792D+01  0.131637D+01 -0.231973D+01 -0.135214D+01  0.851166D+01
      4   0.465307D+01 -0.307818D+01 -0.888128D+01 -0.789308D+00  0.291215D+01
      5  -0.104718D+01  0.270620D+01 -0.135775D+00  0.221456D+01 -0.161289D+01
      6  -0.279860D+01  0.502041D+00  0.385637D+01  0.146172D+01 -0.118840D+02
                16            17            18            19            20 
      1  -0.439720D+01 -0.398403D+01  0.251937D+01 -0.150828D+01 -0.653024D+01
      2  -0.167761D+01 -0.491420D+01  0.126437D+02 -0.234809D+01  0.988200D+01
      3   0.607481D+01  0.889822D+01 -0.151630D+02  0.385637D+01 -0.335176D+01
      4  -0.279003D+01 -0.260658D+01 -0.474984D+01  0.671077D+01 -0.177376D+02
      5  -0.166251D+01 -0.254627D+01  0.839907D+01 -0.150468D+01  0.755188D+01
      6  -0.370227D+01  0.925256D+00  0.628583D+01  0.188072D+01  0.462663D+00
                21            22            23            24            25 
      1  -0.142655D+01  0.605320D+01 -0.284055D+01  0.863361D+00 -0.452493D+01
      2  -0.361970D+01 -0.231123D+01 -0.104780D+02 -0.658689D+01  0.188565D+01
      3   0.504625D+01 -0.374197D+01  0.133185D+02  0.572352D+01  0.263928D+01
      4   0.635220D+01 -0.258601D+02  0.201586D+02 -0.221377D+01  0.107176D+02
      5  -0.957958D+01  0.116086D+02 -0.349931D+01  0.724467D+01 -0.204160D+01
      6   0.312347D+01 -0.167127D+01  0.451888D+01 -0.859679D+01  0.764064D+00
                26            27            28            29            30 
      1   0.459308D+01 -0.451276D+01  0.308023D+02  0.408934D+01 -0.509531D+01
      2   0.204147D+01 -0.188073D+01 -0.191313D+02  0.367050D+00  0.799484D+01
      3  -0.663455D+01  0.639349D+01 -0.116710D+02 -0.445639D+01 -0.289953D+01
      4   0.292869D+01  0.215078D+01  0.179515D+02  0.176124D+02 -0.612462D+01
      5   0.139891D+01  0.381603D+01 -0.109548D+02 -0.472628D+01  0.147405D+02
      6   0.410747D+01  0.535919D+01 -0.303465D+01 -0.181540D+01  0.432115D+01
                31            32            33            34            35 
      1  -0.631029D+01  0.808385D+01  0.233520D+01  0.109795D+01 -0.122071D+01
      2   0.797377D+01 -0.747409D+00  0.174910D+00  0.162068D+01  0.114852D+01
      3  -0.166348D+01 -0.733644D+01 -0.251011D+01 -0.271863D+01  0.721966D-01
      4   0.157817D+02  0.880381D+01 -0.234979D+01 -0.561677D+01 -0.499144D+01
      5  -0.207634D+01 -0.378159D+01  0.151445D+01  0.140287D+02  0.576970D+01
      6  -0.904948D+00 -0.234881D+01  0.772286D+01  0.279674D+01  0.581223D+01
                36            37            38            39            40 
      1   0.952666D+00  0.485829D+02 -0.203517D+01  0.854524D+01 -0.134193D+02
      2  -0.998219D+01 -0.250203D+02  0.107577D+01 -0.461424D+01  0.867999D+01
      3   0.902952D+01 -0.235625D+02  0.959396D+00 -0.393100D+01  0.473931D+01
      4   0.682399D+01  0.201074D+01  0.109036D+02  0.540419D+01  0.607945D+01
      5  -0.145788D+02  0.120311D+02  0.377766D+01  0.428697D+01  0.367709D+01
      6  -0.429052D+01  0.229336D+01  0.793491D+00 -0.136494D+01  0.275571D+01
                41            42            43            44            45 
      1   0.402551D+00  0.293332D+01  0.120883D+02  0.260990D+01 -0.495869D+01
      2   0.430419D+01 -0.945617D+00 -0.833074D+01 -0.838377D+00 -0.558909D+00
      3  -0.470674D+01 -0.198770D+01 -0.375754D+01 -0.177152D+01  0.551760D+01
      4  -0.339308D+01  0.513473D+01  0.743118D+01  0.701679D+01 -0.858018D+01
      5   0.505257D+01 -0.947029D+01 -0.926971D+00 -0.799810D+01  0.223976D+02
      6   0.185998D+01  0.955257D+00 -0.247936D+01  0.115475D+01  0.618533D+01
                46            47            48            49            50 
      1   0.785065D+00  0.315916D+01 -0.285475D+01  0.158673D+01 -0.126905D+02
      2  -0.431468D+01 -0.697491D+00  0.307596D+01 -0.132188D+01  0.221484D+02
      3   0.352961D+01 -0.246167D+01 -0.221206D+00 -0.264848D+00 -0.945788D+01
      4   0.142743D+02 -0.487505D+01  0.108466D+01  0.330321D+01 -0.583682D+00
      5  -0.129863D+01 -0.752168D+00  0.592275D+01 -0.650440D+00 -0.133252D+00
      6   0.162452D+01 -0.260148D+00 -0.546939D+01 -0.422950D+01 -0.124222D+02
                51            52            53            54            55 
      1   0.775902D+01 -0.189260D+00  0.955901D+01  0.601475D+01  0.222063D+02
      2  -0.625485D+01  0.221947D+01 -0.806817D+01 -0.959221D+01 -0.756008D+01
      3  -0.150417D+01 -0.203021D+01 -0.149084D+01  0.357746D+01 -0.146462D+02
      4  -0.180690D+01  0.282292D+01  0.129414D+01 -0.206092D+01 -0.250176D+02
      5   0.889302D+00  0.431886D+01  0.480388D+00 -0.105993D+01  0.910027D+01
      6   0.196469D+00 -0.445699D+01 -0.823989D+01 -0.131729D+02 -0.257602D+01
                56            57            58            59            60 
      1  -0.830491D+01  0.277998D+01 -0.919984D+01 -0.861587D+01  0.177401D+01
      2  -0.323419D+01 -0.239812D+01 -0.223539D+01  0.303340D+02  0.118882D+00
      3   0.115391D+02 -0.381860D+00  0.114352D+02 -0.217181D+02 -0.189289D+01
      4   0.256231D+02 -0.546237D+01  0.317471D+02 -0.445594D+02  0.641117D+01
      5  -0.648657D+01  0.125836D+02 -0.604548D+01  0.856939D+01 -0.130249D+02
      6   0.200841D+01 -0.629696D+01  0.415878D+01 -0.485037D+01  0.137690D+02
                61            62            63            64            65 
      1   0.458942D+01  0.100376D+01 -0.509762D+00  0.584033D+00  0.573438D+00
      2  -0.264055D+01 -0.113262D+01 -0.162140D+01 -0.384670D+01 -0.145306D+01
      3  -0.194887D+01  0.128856D+00  0.213116D+01  0.326266D+01  0.879619D+00
      4  -0.533015D+01  0.453497D+01 -0.120388D+02  0.125838D+01  0.220963D+01
      5   0.136091D+02 -0.119595D+02  0.932743D+01 -0.255045D+01 -0.181005D+01
      6  -0.636981D+01  0.110034D+02 -0.572169D+01 -0.159636D+01 -0.451935D+00
                66            67            68            69            70 
      1  -0.487673D+00 -0.111872D+00 -0.461341D+01  0.419839D+01  0.146982D+01
      2   0.198367D+01 -0.114709D+01 -0.264716D+00  0.246302D+01  0.218564D+01
      3  -0.149600D+01  0.125896D+01  0.487813D+01 -0.666141D+01 -0.365546D+01
      4  -0.117331D+01  0.393173D+01  0.200904D+01 -0.199186D+01 -0.143059D+01
      5   0.727091D+01 -0.202058D+01 -0.182160D+01  0.270027D+01  0.592345D+01
      6   0.658799D+00 -0.171210D+01 -0.546497D+01  0.951593D+01  0.213801D+01
                71            72            73            74            75 
      1   0.324234D+01 -0.166944D+02  0.116687D+01 -0.470746D+00  0.382235D+01
      2   0.552008D+01 -0.172128D+02 -0.375358D+01  0.104362D+00  0.989739D-01
      3  -0.876242D+01  0.339072D+02  0.258672D+01  0.366385D+00 -0.392132D+01
      4  -0.164122D+01  0.266010D+01 -0.502849D+00  0.554605D+00  0.652484D+00
      5   0.189636D+01 -0.693481D+01  0.562506D+00 -0.450011D+00  0.447671D+01
      6   0.667076D+01 -0.902598D+01 -0.444060D-01 -0.885308D+00 -0.794169D+00
                76            77            78            79            80 
      1  -0.256785D+01 -0.430243D+01  0.205382D+01  0.490553D+01  0.907644D-01
      2   0.136416D+01  0.181844D+01  0.254665D+01 -0.184572D+01  0.181216D+01
      3   0.120369D+01  0.248399D+01 -0.460046D+01 -0.305981D+01 -0.190293D+01
      4  -0.801258D+00 -0.918268D+00  0.248258D+01  0.140898D+01  0.224585D+01
      5  -0.407468D+00  0.196207D+01 -0.360099D+01  0.401538D+01 -0.406573D+00
      6   0.119398D+00 -0.817493D+00  0.391051D+01 -0.264835D+00  0.422362D+01
                81            82            83            84            85 
      1  -0.180729D+02 -0.137010D+01  0.486206D+01  0.356347D+00  0.570277D+01
      2  -0.127029D+02  0.385253D+01 -0.449847D+01  0.255735D-02 -0.453200D+01
      3   0.307758D+02 -0.248243D+01 -0.363588D+00 -0.358904D+00 -0.117077D+01
      4  -0.217159D+01  0.769088D+00  0.397500D+01  0.685250D-01  0.390173D+01
      5   0.149170D+02 -0.341504D+00  0.820931D+00  0.620729D+00  0.880888D+00
      6   0.551863D+01  0.291740D+00 -0.810622D+00 -0.729944D+00 -0.531022D+00
                86            87            88            89            90 
      1  -0.224859D+02 -0.243185D+01 -0.130920D+01  0.554736D+00 -0.478445D+01
      2   0.354803D+02  0.169676D+01  0.105904D+01 -0.147978D+01  0.279486D+01
      3  -0.129944D+02  0.735088D+00  0.250158D+00  0.925039D+00  0.198959D+01
      4   0.139602D+02  0.995730D+00 -0.545307D+00 -0.135943D+01  0.951874D+00
      5   0.439193D+00  0.133149D+01  0.315752D+00  0.164072D+01  0.802591D+00
      6   0.569531D+01  0.550178D+01 -0.849167D+00  0.580364D+01  0.272340D+00
                91            92            93            94            95 
      1  -0.115409D+02  0.411868D+01  0.124058D+01  0.105904D+02 -0.880568D+01
      2   0.960914D+01 -0.127623D+01 -0.305283D+01 -0.615419D+01  0.105758D+02
      3   0.193173D+01 -0.284245D+01  0.181224D+01 -0.443620D+01 -0.177013D+01
      4  -0.120126D+01 -0.172046D+01  0.173426D+01  0.548433D+01  0.117758D+02
      5   0.277218D+01  0.463208D+00 -0.402944D+01 -0.276235D+01 -0.230243D+01
      6   0.188517D+01 -0.322390D-01  0.576967D+00 -0.266353D+01 -0.493625D+01
                96            97            98            99           100 
      1   0.511927D+00  0.862250D+00  0.301925D+01 -0.332366D+01  0.116528D+02
      2  -0.396029D+00 -0.738392D+00 -0.246781D+01  0.123259D+01 -0.215487D+00
      3  -0.115897D+00 -0.123858D+00 -0.551445D+00  0.209107D+01 -0.114373D+02
      4  -0.461201D+01  0.539797D-01 -0.165617D+01  0.204409D+01 -0.217602D+02
      5   0.458614D+01  0.135701D+01  0.195345D+01 -0.119271D+01 -0.916249D+00
      6   0.417400D+01  0.471793D+00  0.404267D+01 -0.451481D+01 -0.113555D+01
               101           102           103           104           105 
      1   0.164081D+01  0.294810D+01 -0.100051D+01  0.609492D+00  0.527439D-01
      2  -0.807603D+01 -0.687673D+00 -0.339888D+01  0.389977D+01 -0.391654D+00
      3   0.643522D+01 -0.226043D+01  0.439940D+01 -0.450926D+01  0.338910D+00
      4   0.150441D+02 -0.165037D+01  0.105842D+02 -0.672763D+01  0.486157D-01
      5   0.799515D+00  0.262487D+01  0.998161D+00 -0.304271D+00 -0.110815D+01
      6  -0.165055D+01 -0.451628D+01 -0.923934D+00  0.514382D+00  0.247292D+01
               106           107           108           109           110 
      1   0.114488D+01  0.138448D+00  0.549662D-01 -0.106672D+01 -0.261487D+01
      2  -0.257240D+00 -0.121581D+01 -0.186164D+00  0.127929D+01  0.214738D+01
      3  -0.887644D+00  0.107736D+01  0.131198D+00 -0.212563D+00  0.467491D+00
      4  -0.491908D+01  0.139572D+01 -0.151374D+01  0.507718D+00  0.405550D+01
      5   0.253144D+01 -0.109671D+01  0.250113D+00  0.600277D+00  0.200601D+01
      6  -0.756364D+00  0.272889D+01 -0.117090D+01  0.269727D+01  0.400644D+01
               111           112           113           114           115 
      1  -0.241734D+01 -0.150754D+01 -0.138654D+02 -0.892654D+01 -0.209540D+01
      2   0.883790D+00  0.111372D+01  0.160347D+02  0.883873D+01  0.646683D+00
      3   0.153355D+01  0.393820D+00 -0.216933D+01  0.878095D-01  0.144871D+01
      4   0.285904D+01  0.420335D+01 -0.212562D+01 -0.894474D+00  0.301484D+01
      5   0.214838D+01  0.100730D+01 -0.132909D+01 -0.214414D+01  0.247976D+01
      6   0.557246D+01  0.440623D+00  0.172107D+02  0.165731D+02  0.263099D+01
               116           117           118           119           120 
      1  -0.135395D+02 -0.144350D+02  0.153085D+02  0.415540D+01 -0.803869D+01
      2   0.107379D+02  0.726077D+01 -0.795507D+01 -0.174503D+01  0.434268D+01
      3   0.280163D+01  0.717428D+01 -0.735339D+01 -0.241036D+01  0.369601D+01
      4  -0.125006D+01  0.255655D+00  0.687166D+01  0.555058D+01 -0.433094D+01
      5  -0.188774D+01 -0.116785D+01 -0.887671D+01 -0.316312D+01  0.110021D+02
      6   0.204554D+02  0.210763D+02 -0.271616D+01 -0.713783D+00  0.188505D+01
               121           122           123           124           125 
      1   0.634789D+01  0.304077D+01 -0.364394D+01 -0.159656D+02 -0.330396D+01
      2  -0.199851D+01 -0.221759D+00  0.917401D+00  0.982160D+01  0.161474D+01
      3  -0.434938D+01 -0.281901D+01  0.272654D+01  0.614405D+01  0.168922D+01
      4   0.908457D+01  0.669039D+01 -0.727217D+01 -0.979762D+01 -0.890315D+01
      5  -0.583675D+01 -0.605868D+01  0.914395D+01  0.173954D+02  0.842197D+01
      6  -0.301912D+01 -0.296711D+01  0.511913D+01  0.522027D+01  0.400121D+01
               126 
      1   0.909670D+01
      2  -0.827282D+01
      3  -0.823877D+00
      4   0.103950D+02
      5  -0.254177D+02
      6  -0.744383D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:41:32 2021, MaxMem=  5368709120 cpu:            2716.2 elap:             340.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19235 -19.18087 -19.13856 -14.35627 -10.31929
 Alpha  occ. eigenvalues --  -10.25916 -10.24865  -1.11302  -1.05891  -1.03262
 Alpha  occ. eigenvalues --   -0.92807  -0.76907  -0.67056  -0.60921  -0.54952
 Alpha  occ. eigenvalues --   -0.54617  -0.53328  -0.49405  -0.45697  -0.44921
 Alpha  occ. eigenvalues --   -0.44168  -0.42042  -0.38632  -0.36647  -0.32508
 Alpha  occ. eigenvalues --   -0.32165  -0.30251  -0.27433
 Alpha virt. eigenvalues --   -0.03122  -0.01093  -0.00811   0.00515   0.00991
 Alpha virt. eigenvalues --    0.03035   0.03349   0.04361   0.05555   0.06363
 Alpha virt. eigenvalues --    0.06787   0.07768   0.08316   0.09212   0.09806
 Alpha virt. eigenvalues --    0.10590   0.10829   0.11147   0.12048   0.12430
 Alpha virt. eigenvalues --    0.12880   0.13390   0.13538   0.14846   0.16595
 Alpha virt. eigenvalues --    0.17543   0.18048   0.19014   0.19763   0.20256
 Alpha virt. eigenvalues --    0.20962   0.22105   0.22739   0.23297   0.23514
 Alpha virt. eigenvalues --    0.24405   0.25247   0.25495   0.26735   0.27006
 Alpha virt. eigenvalues --    0.27909   0.29383   0.29994   0.31182   0.33157
 Alpha virt. eigenvalues --    0.33540   0.34583   0.35241   0.35800   0.36988
 Alpha virt. eigenvalues --    0.37138   0.38207   0.39032   0.39994   0.41329
 Alpha virt. eigenvalues --    0.41945   0.43068   0.43544   0.44957   0.45576
 Alpha virt. eigenvalues --    0.46274   0.48058   0.51287   0.52845   0.53038
 Alpha virt. eigenvalues --    0.53258   0.54063   0.54541   0.55413   0.56882
 Alpha virt. eigenvalues --    0.58926   0.59610   0.60617   0.61163   0.62403
 Alpha virt. eigenvalues --    0.64052   0.65603   0.67724   0.68726   0.68954
 Alpha virt. eigenvalues --    0.70274   0.70885   0.73036   0.74198   0.75734
 Alpha virt. eigenvalues --    0.77553   0.78226   0.80262   0.82127   0.82629
 Alpha virt. eigenvalues --    0.85524   0.88337   0.89796   0.90532   0.91577
 Alpha virt. eigenvalues --    0.94425   0.95041   0.98384   1.00406   1.02386
 Alpha virt. eigenvalues --    1.03443   1.05340   1.05945   1.07932   1.08528
 Alpha virt. eigenvalues --    1.09284   1.12951   1.14359   1.15411   1.18650
 Alpha virt. eigenvalues --    1.20476   1.22857   1.23450   1.25050   1.30169
 Alpha virt. eigenvalues --    1.31742   1.33632   1.38347   1.41219   1.44189
 Alpha virt. eigenvalues --    1.45240   1.47453   1.48248   1.51058   1.52684
 Alpha virt. eigenvalues --    1.55598   1.58949   1.62145   1.62521   1.66085
 Alpha virt. eigenvalues --    1.68933   1.70392   1.73438   1.75619   1.76444
 Alpha virt. eigenvalues --    1.77956   1.79747   1.83126   1.85308   1.87029
 Alpha virt. eigenvalues --    1.90054   1.91549   1.92242   1.96416   1.98261
 Alpha virt. eigenvalues --    2.02271   2.04535   2.08423   2.09869   2.11005
 Alpha virt. eigenvalues --    2.12018   2.14385   2.16055   2.16818   2.19663
 Alpha virt. eigenvalues --    2.23770   2.24476   2.26862   2.31268   2.33198
 Alpha virt. eigenvalues --    2.36565   2.38634   2.45057   2.45916   2.52209
 Alpha virt. eigenvalues --    2.55452   2.58147   2.59582   2.64059   2.65905
 Alpha virt. eigenvalues --    2.70822   2.74735   2.77793   2.82104   2.91357
 Alpha virt. eigenvalues --    2.97730   3.02006   3.12023   3.21222   3.29629
 Alpha virt. eigenvalues --    3.35121   3.36199   3.38075   3.38988   3.39420
 Alpha virt. eigenvalues --    3.42631   3.43684   3.45344   3.46923   3.48546
 Alpha virt. eigenvalues --    3.54153   3.60025   3.70902   3.80833   3.90025
 Alpha virt. eigenvalues --    3.96672
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.654588   0.040126  -0.114212   0.032519   0.041725  -0.019679
     2  C    0.040126   6.796202  -0.721303   0.193084   0.148931   0.046234
     3  C   -0.114212  -0.721303   6.347261  -0.274367   0.002860   0.037817
     4  O    0.032519   0.193084  -0.274367   8.409583  -0.004176  -0.084241
     5  O    0.041725   0.148931   0.002860  -0.004176   8.280757  -0.027312
     6  N   -0.019679   0.046234   0.037817  -0.084241  -0.027312   6.528147
     7  O    0.056369  -0.017389   0.177038  -0.054000  -0.004997  -0.016760
     8  H    0.161328  -0.787198  -0.065928  -0.001105  -0.024466  -0.046645
     9  H    0.089963  -0.227322  -0.073447   0.029136  -0.227844  -0.040179
    10  H   -0.127413   0.138268   0.008682  -0.010665  -0.002455   0.034727
    11  H   -0.013515  -0.170290  -0.008365   0.191781   0.001367   0.090596
    12  H   -0.070019  -0.107802  -0.000011   0.003039   0.020565   0.273178
    13  H   -0.016577   0.161807  -0.042381  -0.002913  -0.002318   0.330247
    14  H   -0.001560  -0.033334  -0.008358   0.001211   0.273461  -0.006541
               7          8          9         10         11         12
     1  C    0.056369   0.161328   0.089963  -0.127413  -0.013515  -0.070019
     2  C   -0.017389  -0.787198  -0.227322   0.138268  -0.170290  -0.107802
     3  C    0.177038  -0.065928  -0.073447   0.008682  -0.008365  -0.000011
     4  O   -0.054000  -0.001105   0.029136  -0.010665   0.191781   0.003039
     5  O   -0.004997  -0.024466  -0.227844  -0.002455   0.001367   0.020565
     6  N   -0.016760  -0.046645  -0.040179   0.034727   0.090596   0.273178
     7  O    8.377028   0.030955   0.016863  -0.012620   0.010810   0.000297
     8  H    0.030955   2.192493   0.145821  -0.106878   0.015964   0.043637
     9  H    0.016863   0.145821   2.155888  -0.483280  -0.006506  -0.014598
    10  H   -0.012620  -0.106878  -0.483280   2.002949   0.006349   0.012587
    11  H    0.010810   0.015964  -0.006506   0.006349   0.693393   0.005943
    12  H    0.000297   0.043637  -0.014598   0.012587   0.005943   0.983638
    13  H    0.002444  -0.127772  -0.001082  -0.006883  -0.014614  -0.154712
    14  H    0.001562   0.003773   0.055320  -0.091349  -0.000859  -0.001205
              13         14
     1  C   -0.016577  -0.001560
     2  C    0.161807  -0.033334
     3  C   -0.042381  -0.008358
     4  O   -0.002913   0.001211
     5  O   -0.002318   0.273461
     6  N    0.330247  -0.006541
     7  O    0.002444   0.001562
     8  H   -0.127772   0.003773
     9  H   -0.001082   0.055320
    10  H   -0.006883  -0.091349
    11  H   -0.014614  -0.000859
    12  H   -0.154712  -0.001205
    13  H    0.945865   0.002187
    14  H    0.002187   0.709956
 Mulliken charges:
               1
     1  C    1.286356
     2  C    0.539984
     3  C    0.734714
     4  O   -0.428888
     5  O   -0.476096
     6  N   -0.099587
     7  O   -0.567600
     8  H   -0.433979
     9  H   -0.418732
    10  H   -0.362020
    11  H    0.197946
    12  H    0.005462
    13  H   -0.073298
    14  H    0.095737
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.505604
     2  C    0.106006
     3  C    0.734714
     4  O   -0.230942
     5  O   -0.380359
     6  N   -0.167423
     7  O   -0.567600
 Electronic spatial extent (au):  <R**2>=            812.8950
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5008    Y=              2.0764    Z=              1.7101  Tot=              4.4149
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.3481   YY=            -41.3376   ZZ=            -39.5203
   XY=              5.0977   XZ=             -3.3891   YZ=              2.1194
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.2794   YY=              2.7311   ZZ=              4.5483
   XY=              5.0977   XZ=             -3.3891   YZ=              2.1194
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.2329  YYY=             10.8591  ZZZ=              1.6381  XYY=            -10.5696
  XXY=              3.8101  XXZ=             12.9100  XZZ=             -3.4191  YZZ=              2.6661
  YYZ=              2.2361  XYZ=              4.9703
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -668.5785 YYYY=           -258.8751 ZZZZ=            -97.5613 XXXY=             19.8223
 XXXZ=            -33.2113 YYYX=             12.5103 YYYZ=             10.0907 ZZZX=             -2.1922
 ZZZY=              1.7480 XXYY=           -147.5745 XXZZ=           -117.7145 YYZZ=            -56.1050
 XXYZ=             -6.3028 YYXZ=             -8.4688 ZZXY=              4.0480
 N-N= 3.233014280050D+02 E-N=-1.581942674162D+03  KE= 3.967233117030D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:41:32 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.40490352D+00 8.25059592D-01 6.96984983D-01
 Polarizability= 6.00535858D+01-1.74616698D+00 5.74968900D+01
                -2.03350776D+00-2.55419927D+00 4.66994175D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2336    1.2339       -0.9006   -0.9006
 2     -1.2336   -1.2339        1.3927    1.3926       -1.7953   -1.7957
 3      0.9006    0.9006        7.6561    7.6556       -1.3923   -1.3926
 4     -1.3927   -1.3926       -0.0000    0.0000        0.9006    0.9006
 5     -5.8608   -5.8599       -0.9006   -0.9006        1.2339    1.2339
 6      1.3923    1.3926       -1.2339   -1.2339        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.7018   -3.7018       -2.7017   -2.7017
 2     -4.1779   -4.1779        0.0000    0.0000       -2.7017   -2.7017
 3     -4.1779   -4.1779       -3.7018   -3.7018       -0.0000    0.0000
 4     -3.7018   -3.7018        4.1779    4.1779       -5.3872   -5.3872
 5      2.7017    2.7017       22.9669   22.9669       -4.1779   -4.1779
 6    -17.5796  -17.5796       -2.7017   -2.7017        3.7018    3.7018
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0015    0.0000       -4.9483   -4.9357        3.5844    3.6023
 2      4.8903    4.9357       -5.5759   -5.5705        7.1469    7.1830
 3     -3.6178   -3.6023      -30.6677  -30.6225        5.5485    5.5705
 4      5.5387    5.5705       -0.0067    0.0000       -3.6033   -3.6023
 5     23.4684   23.4395        3.6707    3.6023       -4.9506   -4.9357
 6     -5.5817   -5.5705        4.9515    4.9357       -0.0213    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0098    0.0000        5.9261    5.9013        1.8509    1.8864
 2     -5.9278   -5.9013      -13.5218  -13.4747       18.6393   18.6457
 3     -1.8077   -1.8864        1.3966    1.3232       13.5399   13.4747
 4     13.4804   13.4747       -0.0077    0.0000       -1.9035   -1.8864
 5    -19.9687  -19.9689        1.9039    1.8864        5.8530    5.9013
 6    -13.4900  -13.4747       -5.9300   -5.9013        0.0687    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.5201    8.4935       17.1669   17.2397      -11.5747  -11.5927
 2     24.5567   24.5265       16.9415   16.9940      -11.6469  -11.5927
 3     24.5551   24.5265       17.1608   17.2397      -12.4380  -12.4179
 4      0.2237    0.2456      -16.0989  -16.0330       15.1685   15.2014
 5     -0.7026   -0.8251       20.4856   20.4194       16.0644   16.0330
 6    -35.6368  -35.6209        0.8882    0.8251       -0.2925   -0.2456
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.5836   -0.0004    0.0007    0.0010    0.7792    3.7127
 Low frequencies ---   82.7834  129.3509  192.3251
 Diagonal vibrational polarizability:
       37.1241251      41.1371557      21.8017013
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     82.7833               129.3508               192.3251
 Red. masses --      6.3059                 2.5858                 5.7991
 Frc consts  --      0.0255                 0.0255                 0.1264
 IR Inten    --      2.6980                12.7116                 8.1281
 RamAct Fr= 1--      0.8246                 0.3390                 0.4671
  Dep-P Fr= 1--      0.7358                 0.6602                 0.6943
  Dep-U Fr= 1--      0.8478                 0.7954                 0.8196
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0005
 Beta2  Fr= 1--      0.1165                 0.0449                 0.0638
 AlphaG Fr= 1--      0.0011                -0.0013                 0.0007
 Gamma2 Fr= 1--      0.1869                 0.1324                -0.0279
 Delta2 Fr= 1--      0.0614                 0.0261                 0.0113
 Raman1 Fr= 1--       3.298                  1.356                  1.868
 ROA1   Fr= 1--      19.909                 13.548                 -2.320
 CID1   Fr= 1--       6.036                  9.991                 -1.242
 Raman2 Fr= 1--       1.398                  0.539                  0.766
 ROA2   Fr= 1--       3.995                  2.969                 -0.761
 CID2   Fr= 1--       2.857                  5.505                 -0.994
 Raman3 Fr= 1--       2.796                  1.079                  1.531
 ROA3   Fr= 1--      19.909                 13.548                 -2.320
 CID3   Fr= 1--       7.120                 12.562                 -1.515
 RC180  Fr= 1--       0.696                  0.591                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05   0.06     0.01  -0.14   0.17    -0.20  -0.03  -0.13
     2   6    -0.00   0.08  -0.09     0.02  -0.03   0.08    -0.03  -0.19  -0.18
     3   6    -0.00   0.02  -0.03     0.01   0.00  -0.01     0.07  -0.04  -0.03
     4   8     0.21   0.12   0.31    -0.04   0.06   0.02     0.07   0.09   0.12
     5   8    -0.03  -0.13   0.16     0.03   0.16  -0.12    -0.11   0.20   0.15
     6   7     0.00   0.07  -0.24    -0.05  -0.06  -0.02    -0.04  -0.18  -0.11
     7   8    -0.17  -0.11  -0.22     0.04  -0.01  -0.10     0.24   0.08   0.11
     8   1     0.01   0.22  -0.04     0.10   0.05   0.11    -0.03  -0.23  -0.19
     9   1    -0.14  -0.13   0.02     0.20  -0.47   0.12    -0.34   0.03  -0.14
    10   1     0.06  -0.03   0.14    -0.17  -0.14   0.50    -0.37  -0.07  -0.24
    11   1     0.23   0.14   0.26    -0.08   0.03   0.07    -0.05  -0.02   0.01
    12   1     0.05   0.04  -0.44    -0.04  -0.14  -0.12    -0.07  -0.18   0.03
    13   1    -0.20   0.13  -0.22    -0.15   0.01  -0.04     0.07  -0.21  -0.12
    14   1     0.09  -0.04   0.25    -0.18   0.42  -0.06    -0.01   0.25   0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --    312.5194               320.7589               341.2563
 Red. masses --      1.7166                 1.8756                 2.6226
 Frc consts  --      0.0988                 0.1137                 0.1799
 IR Inten    --     22.1805                55.7047                17.3009
 RamAct Fr= 1--      0.7049                 0.6355                 1.6291
  Dep-P Fr= 1--      0.5122                 0.7420                 0.1706
  Dep-U Fr= 1--      0.6774                 0.8519                 0.2915
 Alpha2 Fr= 1--      0.0033                 0.0001                 0.0239
 Beta2  Fr= 1--      0.0796                 0.0902                 0.0791
 AlphaG Fr= 1--     -0.0076                -0.0017                -0.0167
 Gamma2 Fr= 1--      0.2615                -0.2728                 0.1977
 Delta2 Fr= 1--      0.2075                 0.1850                 0.1445
 Raman1 Fr= 1--       2.820                  2.542                  6.516
 ROA1   Fr= 1--      31.746                -20.269                 23.605
 CID1   Fr= 1--      11.259                 -7.974                  3.622
 Raman2 Fr= 1--       0.955                  1.083                  0.950
 ROA2   Fr= 1--       4.617                 -8.027                  3.589
 CID2   Fr= 1--       4.834                 -7.413                  3.779
 Raman3 Fr= 1--       1.910                  2.166                  1.899
 ROA3   Fr= 1--      31.746                -20.269                 23.605
 CID3   Fr= 1--      16.620                 -9.360                 12.428
 RC180  Fr= 1--       0.355                  0.704                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.06    -0.06  -0.01   0.00    -0.08  -0.07   0.05
     2   6     0.01   0.00  -0.03    -0.02  -0.00  -0.02    -0.00   0.03  -0.06
     3   6     0.00   0.02  -0.01     0.00  -0.02  -0.01     0.01   0.05  -0.08
     4   8     0.05  -0.04  -0.04    -0.06   0.02   0.01     0.21  -0.02  -0.04
     5   8     0.09   0.02   0.03    -0.09  -0.10  -0.06    -0.11  -0.06  -0.07
     6   7    -0.15  -0.02   0.05     0.16   0.05   0.05    -0.04   0.03   0.12
     7   8    -0.07  -0.01   0.02     0.06   0.01   0.01    -0.04   0.06   0.03
     8   1     0.02  -0.08  -0.05    -0.03   0.02  -0.01     0.13  -0.04  -0.06
     9   1    -0.00   0.04  -0.06    -0.08  -0.05  -0.01    -0.08  -0.30  -0.00
    10   1     0.06  -0.00  -0.09    -0.00  -0.00   0.04    -0.08  -0.05   0.28
    11   1     0.14   0.02  -0.02    -0.07   0.04   0.17     0.31   0.02  -0.24
    12   1    -0.12  -0.16  -0.16     0.28   0.20  -0.35    -0.13   0.09   0.56
    13   1    -0.43  -0.05   0.14    -0.12  -0.05   0.18     0.37  -0.05   0.07
    14   1     0.35   0.59   0.41     0.18   0.64   0.40    -0.12   0.16   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.0518               435.0243               567.1648
 Red. masses --      1.2893                 3.5655                 3.9462
 Frc consts  --      0.1007                 0.3976                 0.7479
 IR Inten    --     52.0804                26.1892                 6.9497
 RamAct Fr= 1--      0.6075                 2.1675                 1.7901
  Dep-P Fr= 1--      0.3936                 0.2085                 0.5286
  Dep-U Fr= 1--      0.5649                 0.3450                 0.6916
 Alpha2 Fr= 1--      0.0046                 0.0288                 0.0077
 Beta2  Fr= 1--      0.0572                 0.1246                 0.2063
 AlphaG Fr= 1--      0.0130                -0.0065                 0.0025
 Gamma2 Fr= 1--     -0.0573                 0.0491                 0.1217
 Delta2 Fr= 1--      0.0285                 0.0562                -0.1268
 Raman1 Fr= 1--       2.430                  8.670                  7.160
 ROA1   Fr= 1--      -4.592                  6.513                  7.631
 CID1   Fr= 1--      -1.890                  0.751                  1.066
 Raman2 Fr= 1--       0.686                  1.496                  2.476
 ROA2   Fr= 1--      -1.605                  0.729                  3.936
 CID2   Fr= 1--      -2.338                  0.487                  1.590
 Raman3 Fr= 1--       1.373                  2.991                  4.952
 ROA3   Fr= 1--      -4.592                  6.513                  7.631
 CID3   Fr= 1--      -3.346                  2.177                  1.541
 RC180  Fr= 1--       0.130                 -0.310                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.03    -0.03   0.17   0.06     0.01  -0.08  -0.08
     2   6    -0.01  -0.02   0.00    -0.01   0.06   0.16    -0.11   0.12  -0.16
     3   6    -0.04   0.00   0.02     0.07  -0.06   0.07    -0.03  -0.10   0.06
     4   8    -0.06   0.04   0.04     0.05  -0.09   0.02    -0.08  -0.12   0.07
     5   8     0.05  -0.01  -0.01    -0.13  -0.07  -0.08     0.08   0.03   0.05
     6   7     0.02  -0.03  -0.05    -0.16   0.01  -0.07    -0.09   0.25   0.05
     7   8    -0.04  -0.01  -0.01     0.19  -0.05  -0.10     0.19  -0.05  -0.06
     8   1    -0.05  -0.03  -0.00     0.00   0.13   0.19    -0.32   0.11  -0.19
     9   1     0.03   0.01  -0.02     0.02   0.47   0.15    -0.06  -0.48  -0.19
    10   1     0.05  -0.01  -0.03     0.04   0.16  -0.22     0.04  -0.04   0.33
    11   1    -0.15  -0.05  -0.11     0.06  -0.11  -0.15    -0.00  -0.07   0.06
    12   1    -0.10   0.04   0.49    -0.24  -0.16   0.12    -0.15   0.27   0.28
    13   1     0.60   0.06  -0.25     0.03   0.29  -0.29     0.01  -0.00   0.19
    14   1     0.22   0.38   0.25     0.02   0.32   0.17     0.10  -0.11  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    662.4185               729.8231               855.6674
 Red. masses --      4.7900                 7.4140                 1.4055
 Frc consts  --      1.2384                 2.3267                 0.6063
 IR Inten    --      5.7003                13.2371                66.5510
 RamAct Fr= 1--      0.9188                 5.9076                 2.7154
  Dep-P Fr= 1--      0.7463                 0.0692                 0.3287
  Dep-U Fr= 1--      0.8547                 0.1295                 0.4948
 Alpha2 Fr= 1--      0.0001                 0.1114                 0.0255
 Beta2  Fr= 1--      0.1309                 0.1275                 0.2239
 AlphaG Fr= 1--      0.0000                 0.0829                -0.0974
 Gamma2 Fr= 1--     -0.3062                -0.3418                 0.8512
 Delta2 Fr= 1--      0.3872                 0.1566                -0.1684
 Raman1 Fr= 1--       3.675                 23.630                 10.862
 ROA1   Fr= 1--     -17.008                -27.797                 76.327
 CID1   Fr= 1--      -4.627                 -1.176                  7.027
 Raman2 Fr= 1--       1.571                  1.530                  2.687
 ROA2   Fr= 1--     -10.446                 -9.455                 21.777
 CID2   Fr= 1--      -6.651                 -6.180                  8.104
 Raman3 Fr= 1--       3.141                  3.060                  5.374
 ROA3   Fr= 1--     -17.008                -27.797                 76.327
 CID3   Fr= 1--      -5.414                 -9.084                 14.203
 RC180  Fr= 1--       0.709                 -0.741                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11  -0.09    -0.07  -0.11  -0.16     0.01  -0.02   0.01
     2   6    -0.19  -0.06   0.13     0.14   0.02  -0.02     0.09  -0.02  -0.02
     3   6    -0.11   0.19   0.25     0.38   0.16   0.42    -0.04   0.03   0.02
     4   8     0.09  -0.16  -0.03    -0.03   0.13  -0.18    -0.05  -0.07   0.01
     5   8     0.04   0.03   0.03    -0.13   0.01   0.02    -0.02  -0.00  -0.01
     6   7     0.09  -0.08  -0.01    -0.01   0.06  -0.01     0.03   0.04  -0.07
     7   8     0.02   0.18  -0.18    -0.10  -0.22  -0.02    -0.00   0.05  -0.01
     8   1    -0.50  -0.08   0.09    -0.27  -0.00  -0.08     0.14   0.08   0.01
     9   1     0.02  -0.02  -0.05    -0.20  -0.29  -0.22    -0.00   0.11   0.05
    10   1    -0.07  -0.12  -0.14    -0.19  -0.11   0.03    -0.03  -0.03  -0.11
    11   1     0.45   0.09  -0.17    -0.23   0.02   0.17     0.33   0.28   0.54
    12   1     0.20   0.20  -0.23    -0.11  -0.13   0.22    -0.17  -0.32   0.43
    13   1     0.11  -0.04  -0.05    -0.02   0.03   0.03    -0.16  -0.25   0.18
    14   1     0.07  -0.01   0.03    -0.02  -0.02   0.04    -0.05   0.05   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    868.2580               888.5196               946.5034
 Red. masses --      1.6679                 1.9432                 1.8659
 Frc consts  --      0.7408                 0.9039                 0.9849
 IR Inten    --     28.1965                65.2702                50.3315
 RamAct Fr= 1--      4.4160                 4.2950                 2.9276
  Dep-P Fr= 1--      0.1083                 0.1167                 0.3532
  Dep-U Fr= 1--      0.1954                 0.2089                 0.5220
 Alpha2 Fr= 1--      0.0758                 0.0722                 0.0254
 Beta2  Fr= 1--      0.1439                 0.1496                 0.2547
 AlphaG Fr= 1--      0.1221                -0.0582                 0.0187
 Gamma2 Fr= 1--     -0.1008                -0.2641                 0.5483
 Delta2 Fr= 1--     -0.0486                -0.0850                 0.1685
 Raman1 Fr= 1--      17.664                 17.180                 11.710
 ROA1   Fr= 1--     -11.235                -28.076                 58.030
 CID1   Fr= 1--      -0.636                 -1.634                  4.955
 Raman2 Fr= 1--       1.726                  1.795                  3.056
 ROA2   Fr= 1--      -2.031                 -5.658                 11.812
 CID2   Fr= 1--      -1.177                 -3.153                  3.865
 Raman3 Fr= 1--       3.452                  3.589                  6.113
 ROA3   Fr= 1--     -11.235                -28.076                 58.030
 CID3   Fr= 1--      -3.254                 -7.822                  9.493
 RC180  Fr= 1--      -0.609                 -0.582                  0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.00    -0.05  -0.17  -0.02    -0.04  -0.08  -0.11
     2   6    -0.13  -0.03   0.07     0.01  -0.07   0.09     0.16   0.04   0.05
     3   6     0.03  -0.05  -0.06    -0.01  -0.02  -0.04    -0.03   0.02  -0.04
     4   8     0.04   0.06  -0.08     0.03   0.03   0.01    -0.04  -0.07   0.05
     5   8     0.04   0.01   0.00     0.04   0.02  -0.00    -0.03   0.01   0.01
     6   7    -0.05   0.02  -0.01     0.02   0.17  -0.02    -0.04   0.02   0.07
     7   8     0.01  -0.05   0.05    -0.01  -0.01   0.01    -0.00   0.04  -0.00
     8   1    -0.13   0.04   0.09     0.15   0.11   0.16     0.35  -0.12   0.03
     9   1     0.05   0.12   0.06    -0.02   0.33   0.11    -0.07  -0.12  -0.13
    10   1    -0.02  -0.07  -0.16    -0.13  -0.24  -0.55    -0.12  -0.09  -0.07
    11   1     0.24   0.31   0.71    -0.18  -0.18  -0.45     0.07   0.04   0.22
    12   1     0.02   0.33  -0.04    -0.06  -0.01   0.12     0.07   0.05  -0.30
    13   1     0.25   0.12  -0.15    -0.20  -0.01   0.16     0.21   0.61  -0.39
    14   1    -0.00   0.02  -0.01    -0.11   0.09  -0.02     0.07  -0.06   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1000.0291              1063.5726              1122.5534
 Red. masses --      1.8744                 5.4881                 2.7569
 Frc consts  --      1.1044                 3.6577                 2.0469
 IR Inten    --     37.9540               129.7682                27.2200
 RamAct Fr= 1--      1.6401                 3.5470                 2.7055
  Dep-P Fr= 1--      0.3209                 0.5259                 0.6512
  Dep-U Fr= 1--      0.4859                 0.6893                 0.7888
 Alpha2 Fr= 1--      0.0158                 0.0154                 0.0048
 Beta2  Fr= 1--      0.1328                 0.4075                 0.3557
 AlphaG Fr= 1--      0.0017                 0.0074                 0.0039
 Gamma2 Fr= 1--     -0.5244                -0.0792                 0.3949
 Delta2 Fr= 1--     -0.4964                -0.2222                 0.8166
 Raman1 Fr= 1--       6.560                 14.188                 10.822
 ROA1   Fr= 1--     -66.225                -14.717                 64.042
 CID1   Fr= 1--     -10.095                 -1.037                  5.918
 Raman2 Fr= 1--       1.594                  4.890                  4.268
 ROA2   Fr= 1--      -8.614                 -0.125                  2.945
 CID2   Fr= 1--      -5.404                 -0.026                  0.690
 Raman3 Fr= 1--       3.188                  9.780                  8.536
 ROA3   Fr= 1--     -66.225                -14.717                 64.042
 CID3   Fr= 1--     -20.774                 -1.505                  7.503
 RC180  Fr= 1--      -0.028                  0.379                  0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.13     0.45  -0.14  -0.04    -0.01  -0.13  -0.06
     2   6    -0.02  -0.01   0.17    -0.05  -0.02  -0.02     0.00   0.29   0.02
     3   6    -0.05  -0.06  -0.07     0.03   0.01  -0.05    -0.08  -0.07  -0.00
     4   8     0.04   0.06  -0.02    -0.01  -0.03   0.02     0.01   0.05  -0.02
     5   8    -0.05   0.01   0.02    -0.33   0.11   0.07    -0.00   0.02   0.01
     6   7     0.06   0.03  -0.04    -0.03   0.02   0.00     0.05  -0.15   0.04
     7   8     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.04  -0.04   0.02
     8   1    -0.22  -0.08   0.12     0.02   0.04  -0.00    -0.21   0.54   0.07
     9   1     0.18  -0.39  -0.20     0.41   0.12   0.04    -0.28   0.13  -0.05
    10   1    -0.13   0.05   0.33     0.42  -0.16  -0.22     0.30  -0.09  -0.23
    11   1     0.04   0.04  -0.06    -0.07  -0.07  -0.01     0.09   0.09  -0.06
    12   1    -0.10  -0.41   0.21     0.06   0.34  -0.11     0.01  -0.34   0.07
    13   1    -0.25   0.09   0.03     0.13  -0.17   0.07    -0.02  -0.09   0.01
    14   1     0.41  -0.17   0.08     0.01  -0.04   0.12    -0.31   0.14  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1139.7648              1220.7424              1292.3082
 Red. masses --      1.1438                 2.5959                 1.2424
 Frc consts  --      0.8754                 2.2792                 1.2225
 IR Inten    --     20.6107                13.4988                 8.2541
 RamAct Fr= 1--      3.8473                 7.6816                 5.7607
  Dep-P Fr= 1--      0.1956                 0.5474                 0.3154
  Dep-U Fr= 1--      0.3272                 0.7075                 0.4795
 Alpha2 Fr= 1--      0.0529                 0.0298                 0.0564
 Beta2  Fr= 1--      0.2098                 0.9058                 0.4604
 AlphaG Fr= 1--      0.0067                -0.0317                 0.1122
 Gamma2 Fr= 1--      1.0489                 0.1641                -1.3885
 Delta2 Fr= 1--      0.2287                 0.2710                -0.2575
 Raman1 Fr= 1--      15.389                 30.727                 23.043
 ROA1   Fr= 1--     108.014                 24.429               -141.536
 CID1   Fr= 1--       7.019                  0.795                 -6.142
 Raman2 Fr= 1--       2.517                 10.870                  5.525
 ROA2   Fr= 1--      23.345                  1.771                -31.263
 CID2   Fr= 1--       9.274                  0.163                 -5.658
 Raman3 Fr= 1--       5.035                 21.740                 11.050
 ROA3   Fr= 1--     108.014                 24.429               -141.536
 CID3   Fr= 1--      21.454                  1.124                -12.809
 RC180  Fr= 1--      -0.346                  0.415                 -0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.02    -0.02  -0.00  -0.05    -0.00   0.02  -0.07
     2   6    -0.01   0.06   0.01    -0.08   0.04   0.11    -0.01  -0.01   0.07
     3   6     0.03   0.02  -0.01     0.22   0.09  -0.16    -0.04  -0.01   0.04
     4   8    -0.01  -0.02   0.01    -0.02  -0.12   0.07     0.00   0.02  -0.01
     5   8    -0.00   0.00  -0.01     0.03  -0.00   0.01     0.01  -0.00   0.01
     6   7    -0.02  -0.05  -0.01     0.01  -0.02  -0.02    -0.02   0.00  -0.05
     7   8    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.02  -0.03   0.00
     8   1     0.33   0.44   0.18    -0.16   0.04   0.09     0.62  -0.16   0.13
     9   1     0.29  -0.01   0.03    -0.32  -0.11  -0.13    -0.25  -0.16  -0.17
    10   1    -0.32  -0.05  -0.03     0.25   0.06   0.06     0.34   0.11   0.16
    11   1    -0.06  -0.05   0.01    -0.47  -0.38   0.36     0.10   0.08  -0.08
    12   1     0.03   0.25  -0.00    -0.05  -0.04   0.16     0.02   0.30  -0.01
    13   1     0.07  -0.33   0.14    -0.08  -0.13   0.08     0.01  -0.28   0.12
    14   1     0.47  -0.19   0.05    -0.26   0.12  -0.03    -0.25   0.10  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1303.6362              1365.4044              1385.9039
 Red. masses --      1.5112                 1.3908                 1.2834
 Frc consts  --      1.5131                 1.5277                 1.4524
 IR Inten    --      1.3487                29.8989                11.0329
 RamAct Fr= 1--      0.9039                 2.9100                 1.0978
  Dep-P Fr= 1--      0.1410                 0.6184                 0.6176
  Dep-U Fr= 1--      0.2472                 0.7642                 0.7636
 Alpha2 Fr= 1--      0.0143                 0.0070                 0.0027
 Beta2  Fr= 1--      0.0372                 0.3706                 0.1397
 AlphaG Fr= 1--     -0.0278                -0.0217                 0.0150
 Gamma2 Fr= 1--      0.5876                -0.5235                -1.0446
 Delta2 Fr= 1--      0.0616                -0.8801                -0.3579
 Raman1 Fr= 1--       3.615                 11.640                  4.391
 ROA1   Fr= 1--      58.383                -78.417               -111.732
 CID1   Fr= 1--      16.148                 -6.737                -25.445
 Raman2 Fr= 1--       0.447                  4.448                  1.677
 ROA2   Fr= 1--      13.610                 -5.522                -22.206
 CID2   Fr= 1--      30.462                 -1.242                -13.245
 Raman3 Fr= 1--       0.894                  8.895                  3.353
 ROA3   Fr= 1--      58.383                -78.417               -111.732
 CID3   Fr= 1--      65.337                 -8.815                -33.321
 RC180  Fr= 1--      -0.506                  0.528                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.02    -0.00   0.04  -0.04    -0.09  -0.05   0.04
     2   6    -0.17   0.02  -0.07     0.02  -0.15  -0.04     0.07  -0.03   0.02
     3   6     0.03   0.02   0.04    -0.03  -0.01   0.02     0.00   0.00  -0.01
     4   8     0.00  -0.01  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.01
     5   8    -0.00   0.03  -0.01     0.00  -0.01   0.02    -0.02   0.05  -0.04
     6   7     0.06   0.00   0.03    -0.01   0.02   0.04    -0.02   0.01  -0.01
     7   8     0.00  -0.01  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
     8   1     0.60  -0.10   0.01    -0.02   0.83   0.25    -0.24  -0.00  -0.01
     9   1     0.14   0.11   0.08     0.05  -0.12  -0.08    -0.18   0.15   0.09
    10   1     0.31   0.02   0.01     0.25   0.10   0.11     0.71   0.08   0.11
    11   1    -0.08  -0.06   0.09    -0.08  -0.05   0.06     0.06   0.05  -0.05
    12   1    -0.04  -0.43   0.10    -0.00  -0.09  -0.03     0.01   0.12  -0.02
    13   1    -0.13   0.36  -0.15     0.03   0.18  -0.08     0.02  -0.08   0.03
    14   1     0.22  -0.09   0.01    -0.20   0.08  -0.01     0.51  -0.21   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.4825              1416.2810              1504.1457
 Red. masses --      1.4320                 1.3088                 1.0836
 Frc consts  --      1.6785                 1.5468                 1.4444
 IR Inten    --    329.5136                72.9026                 3.4238
 RamAct Fr= 1--      3.5414                 3.2433                 4.8783
  Dep-P Fr= 1--      0.4540                 0.1411                 0.7204
  Dep-U Fr= 1--      0.6245                 0.2473                 0.8375
 Alpha2 Fr= 1--      0.0214                 0.0513                 0.0025
 Beta2  Fr= 1--      0.3686                 0.1337                 0.6809
 AlphaG Fr= 1--      0.0303                -0.0511                 0.0011
 Gamma2 Fr= 1--     -0.8221                 0.9186                -0.0565
 Delta2 Fr= 1--     -0.3744                 0.4222                -0.1683
 Raman1 Fr= 1--      14.165                 12.973                 19.513
 ROA1   Fr= 1--     -90.901                101.693                -10.807
 CID1   Fr= 1--      -6.417                  7.839                 -0.554
 Raman2 Fr= 1--       4.423                  1.604                  8.171
 ROA2   Fr= 1--     -16.735                 18.668                 -0.009
 CID2   Fr= 1--      -3.783                 11.639                 -0.001
 Raman3 Fr= 1--       8.846                  3.208                 16.342
 ROA3   Fr= 1--     -90.901                101.693                -10.807
 CID3   Fr= 1--     -10.275                 31.702                 -0.661
 RC180  Fr= 1--       0.249                 -0.505                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.03    -0.08  -0.02  -0.07     0.04  -0.04  -0.05
     2   6    -0.06  -0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
     3   6     0.09   0.05  -0.06     0.06   0.04  -0.05    -0.00   0.00  -0.00
     4   8    -0.08  -0.01   0.04    -0.05  -0.01   0.03     0.00   0.00   0.00
     5   8     0.00   0.00  -0.02     0.01  -0.01   0.04     0.01  -0.00  -0.01
     6   7     0.02  -0.01   0.01     0.00  -0.01  -0.00     0.00   0.00   0.00
     7   8    -0.00  -0.04   0.02    -0.00  -0.03   0.01     0.00   0.00  -0.00
     8   1     0.03   0.20   0.09    -0.09  -0.05  -0.03     0.03   0.06   0.02
     9   1    -0.45  -0.15  -0.10     0.73   0.17   0.12    -0.28   0.64   0.09
    10   1    -0.14  -0.04  -0.13     0.19   0.07   0.21    -0.25  -0.00   0.66
    11   1     0.53   0.40  -0.40     0.30   0.22  -0.25    -0.00  -0.00  -0.01
    12   1     0.01  -0.05   0.00     0.01   0.03   0.00     0.00   0.01  -0.00
    13   1    -0.03   0.13  -0.06    -0.02   0.00  -0.00    -0.01   0.02  -0.00
    14   1     0.12  -0.06  -0.01    -0.30   0.13   0.01     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.9378              1838.8079              3017.3318
 Red. masses --      1.0873                 9.5554                 1.0839
 Frc consts  --      1.7758                19.0359                 5.8140
 IR Inten    --     38.6148               320.2678                20.2737
 RamAct Fr= 1--      4.4603                15.7398               124.2977
  Dep-P Fr= 1--      0.6083                 0.3186                 0.2102
  Dep-U Fr= 1--      0.7564                 0.4832                 0.3474
 Alpha2 Fr= 1--      0.0116                 0.1526                 1.6428
 Beta2  Fr= 1--      0.5623                 1.2675                 7.1961
 AlphaG Fr= 1--     -0.0126                -0.0938                -0.0801
 Gamma2 Fr= 1--     -0.8471                -0.4871                 5.4837
 Delta2 Fr= 1--     -0.3860                 0.1827                 4.9888
 Raman1 Fr= 1--      17.841                 62.959                497.191
 ROA1   Fr= 1--     -93.672                -40.920                686.078
 CID1   Fr= 1--      -5.250                 -0.650                  1.380
 Raman2 Fr= 1--       6.748                 15.211                 86.353
 ROA2   Fr= 1--     -17.242                -13.153                 91.699
 CID2   Fr= 1--      -2.555                 -0.865                  1.062
 Raman3 Fr= 1--      13.496                 30.421                172.706
 ROA3   Fr= 1--     -93.672                -40.920                686.078
 CID3   Fr= 1--      -6.941                 -1.345                  3.973
 RC180  Fr= 1--       0.513                 -0.034                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.02  -0.00   0.02     0.03  -0.04  -0.00     0.01   0.02  -0.08
     3   6     0.01   0.01  -0.01    -0.31   0.62  -0.16    -0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.03   0.07   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.19  -0.38   0.10     0.00  -0.00   0.00
     8   1     0.02  -0.03   0.02    -0.13   0.08  -0.02    -0.14  -0.28   0.93
     9   1    -0.00   0.01  -0.00    -0.02  -0.01   0.00     0.02   0.04  -0.13
    10   1     0.01   0.01   0.02    -0.06   0.01  -0.02    -0.01   0.02  -0.00
    11   1     0.03   0.02  -0.00    -0.38  -0.22   0.26     0.00  -0.01   0.00
    12   1    -0.01  -0.56  -0.45    -0.00  -0.01   0.04     0.00   0.00   0.00
    13   1     0.57  -0.37   0.10    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    14   1     0.00  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3051.3121              3100.6237              3443.7340
 Red. masses --      1.0571                 1.1098                 1.0640
 Frc consts  --      5.7989                 6.2865                 7.4347
 IR Inten    --     19.8589                16.5230               247.8112
 RamAct Fr= 1--     91.8206                41.8862                87.4351
  Dep-P Fr= 1--      0.0579                 0.7499                 0.0859
  Dep-U Fr= 1--      0.1095                 0.8571                 0.1582
 Alpha2 Fr= 1--      1.7797                 0.0001                 1.5843
 Beta2  Fr= 1--      1.6760                 5.9833                 2.3057
 AlphaG Fr= 1--     -0.1943                -0.0016                -0.0166
 Gamma2 Fr= 1--     -0.0518                -4.4539                -3.5267
 Delta2 Fr= 1--      1.4977                -3.6300                -2.8439
 Raman1 Fr= 1--     367.282                167.545                349.741
 ROA1   Fr= 1--      42.952               -543.735               -429.567
 CID1   Fr= 1--       0.117                 -3.245                 -1.228
 Raman2 Fr= 1--      20.113                 71.800                 27.669
 ROA2   Fr= 1--     -13.225                -77.854                -61.890
 CID2   Fr= 1--      -0.658                 -1.084                 -2.237
 Raman3 Fr= 1--      40.225                143.600                 55.338
 ROA3   Fr= 1--      42.952               -543.735               -429.567
 CID3   Fr= 1--       1.068                 -3.786                 -7.763
 RC180  Fr= 1--      -0.781                  0.714                 -0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.05     0.00   0.07  -0.06    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.05   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.02   0.07    -0.01  -0.03   0.11     0.00  -0.01   0.01
     9   1    -0.11  -0.18   0.63    -0.11  -0.18   0.70    -0.00   0.00   0.00
    10   1    -0.12   0.72  -0.09     0.11  -0.66   0.07    -0.00  -0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.58   0.79  -0.11
    12   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.13   0.02  -0.03
    13   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.04   0.07
    14   1     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3497.5871              3570.1918              3795.9027
 Red. masses --      1.0501                 1.0935                 1.0663
 Frc consts  --      7.5686                 8.2123                 9.0522
 IR Inten    --      2.8299                19.2573                35.8904
 RamAct Fr= 1--    112.7514                50.3476                91.7038
  Dep-P Fr= 1--      0.0871                 0.7088                 0.1809
  Dep-U Fr= 1--      0.1602                 0.8296                 0.3064
 Alpha2 Fr= 1--      2.0372                 0.0360                 1.3093
 Beta2  Fr= 1--      3.0113                 6.9613                 4.6834
 AlphaG Fr= 1--     -0.4685                 0.0785                 0.6612
 Gamma2 Fr= 1--      5.3823               -10.5516                 3.9873
 Delta2 Fr= 1--      5.0553                -1.2107                 1.0337
 Raman1 Fr= 1--     451.006                201.390                366.815
 ROA1   Fr= 1--     678.474              -1051.697                415.863
 CID1   Fr= 1--       1.504                 -5.222                  1.134
 Raman2 Fr= 1--      36.135                 83.536                 56.201
 ROA2   Fr= 1--      88.734               -243.552                 87.426
 CID2   Fr= 1--       2.456                 -2.916                  1.556
 Raman3 Fr= 1--      72.270                167.072                112.403
 ROA3   Fr= 1--     678.474              -1051.697                415.863
 CID3   Fr= 1--       9.388                 -6.295                  3.700
 RC180  Fr= 1--      -0.680                  0.659                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   8     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.05
     6   7    -0.04   0.03   0.02    -0.05  -0.02  -0.06    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.09   0.12  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
    12   1     0.73  -0.13   0.21     0.59  -0.11   0.14     0.00   0.00   0.00
    13   1    -0.16  -0.32  -0.50     0.17   0.41   0.65     0.00   0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.29  -0.43   0.85

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   400.92143 988.456541232.67619
           X            0.99980   0.01890  -0.00715
           Y           -0.01871   0.99950   0.02538
           Z            0.00762  -0.02525   0.99965
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21604     0.08763     0.07026
 Rotational constants (GHZ):           4.50148     1.82582     1.46408
 Zero-point vibrational energy     298478.3 (Joules/Mol)
                                   71.33803 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    119.11   186.11   276.71   449.65   461.50
          (Kelvin)            490.99   523.79   625.90   816.02   953.07
                             1050.05  1231.11  1249.23  1278.38  1361.81
                             1438.82  1530.24  1615.10  1639.87  1756.38
                             1859.34  1875.64  1964.51  1994.01  2029.37
                             2037.71  2164.13  2395.47  2645.63  4341.27
                             4390.16  4461.11  4954.77  5032.25  5136.71
                             5461.46
 
 Zero-point correction=                           0.113684 (Hartree/Particle)
 Thermal correction to Energy=                    0.121153
 Thermal correction to Enthalpy=                  0.122097
 Thermal correction to Gibbs Free Energy=         0.081937
 Sum of electronic and zero-point Energies=           -399.040194
 Sum of electronic and thermal Energies=              -399.032725
 Sum of electronic and thermal Enthalpies=            -399.031781
 Sum of electronic and thermal Free Energies=         -399.071941
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.025             26.614             84.526
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.682
 Vibrational             74.247             20.653             16.979
 Vibration     1          0.600              1.961              3.824
 Vibration     2          0.612              1.924              2.956
 Vibration     3          0.634              1.851              2.205
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.706              1.634              1.306
 Vibration     6          0.721              1.593              1.206
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.796              1.394              0.842
 Vibration     9          0.923              1.102              0.510
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.205045D-37        -37.688150        -86.780173
 Total V=0       0.400859D+15         14.602991         33.624630
 Vib (Bot)       0.193673D-50        -50.712931       -116.770839
 Vib (Bot)    1  0.248665D+01          0.395615          0.910936
 Vib (Bot)    2  0.157632D+01          0.197645          0.455093
 Vib (Bot)    3  0.103975D+01          0.016929          0.038980
 Vib (Bot)    4  0.604172D+00         -0.218840         -0.503897
 Vib (Bot)    5  0.585789D+00         -0.232259         -0.534796
 Vib (Bot)    6  0.543689D+00         -0.264650         -0.609379
 Vib (Bot)    7  0.502110D+00         -0.299201         -0.688936
 Vib (Bot)    8  0.398951D+00         -0.399080         -0.918916
 Vib (Bot)    9  0.272118D+00         -0.565242         -1.301519
 Vib (V=0)       0.378626D+02          1.578211          3.633964
 Vib (V=0)    1  0.303642D+01          0.482362          1.110679
 Vib (V=0)    2  0.215372D+01          0.333189          0.767196
 Vib (V=0)    3  0.165372D+01          0.218463          0.503030
 Vib (V=0)    4  0.128423D+01          0.108644          0.250163
 Vib (V=0)    5  0.127016D+01          0.103859          0.239144
 Vib (V=0)    6  0.123865D+01          0.092947          0.214019
 Vib (V=0)    7  0.120860D+01          0.082283          0.189463
 Vib (V=0)    8  0.113966D+01          0.056774          0.130728
 Vib (V=0)    9  0.106925D+01          0.029080          0.066960
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.250195D+06          5.398279         12.429996
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3 3 3           33 3                                      1     1    1 111111  1 11 1 1                                 
     7       5 4 4           10 0                                      8     6    5 443332  2 11 0 0 9888   7 6   5   43333   1 1    
     9       7 9 4           05 1                                      3     6    0 118609  2 42 6 0 4865   3 6   6   36421   9 2 8  
     6       0 8 4           11 7                                      9     5    4 606542  1 03 4 0 7986   0 2   7   54113   2 9 3  
 
     X       X X X           XX X                                      X     X    X XXXXXX  X XX X X XXXX   X X   X   XXXXX   X X X  
     X           X                                                     X     X      XX X       X X X XXXX             XX X           
                 X                                                     X            XX           X   XX X              X X           
                 X                                                     X            XX           X    X X                            
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001856   -0.000003788    0.000005794
      2        6          -0.000016038   -0.000006050   -0.000010356
      3        6           0.000010476    0.000014807   -0.000019407
      4        8          -0.000016047   -0.000015316    0.000014693
      5        8           0.000014336    0.000008169   -0.000001392
      6        7           0.000028371    0.000021460    0.000019170
      7        8          -0.000001014   -0.000005271    0.000004152
      8        1           0.000007017    0.000002350    0.000007498
      9        1          -0.000007104   -0.000007777   -0.000004558
     10        1          -0.000004017   -0.000004428   -0.000000720
     11        1          -0.000000538    0.000007429    0.000000216
     12        1          -0.000004693   -0.000004192   -0.000006430
     13        1          -0.000008458    0.000001577   -0.000002304
     14        1          -0.000000436   -0.000008972   -0.000006356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028371 RMS     0.000010276
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.678099D+02 -0.180113D+01 -0.246785D+01
      2  -0.180113D+01  0.642185D+02 -0.278526D+01
      3  -0.246785D+01 -0.278526D+01  0.524987D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.309621D+01  0.761375D+00 -0.129320D+01
      2  -0.264781D+01 -0.622663D+01 -0.107428D+02
      3   0.719447D+01 -0.273184D+01  0.375782D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.316555D+02 -0.145302D+02 -0.887836D+01
      2   0.200745D+02  0.120664D+02  0.353950D+01
      3   0.115810D+02  0.246381D+01  0.533886D+01
      4  -0.110881D+02  0.677193D+01 -0.160105D+02
      5  -0.588666D+00 -0.168802D+02 -0.177546D+02
      6  -0.754014D+01  0.110041D+02  0.615153D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.996961D+00 -0.103558D+01 -0.643591D+00 -0.406609D+01 -0.211505D+01
      2  -0.103558D+01 -0.294889D+01 -0.591606D+00 -0.211505D+01  0.518111D+01
      3  -0.643591D+00 -0.591606D+00 -0.265516D+01 -0.685799D+00 -0.154371D+00
                 6             7             8             9            10 
      1  -0.685799D+00 -0.357900D+01 -0.432603D+00 -0.188332D+01  0.530950D+00
      2  -0.154371D+00 -0.432603D+00 -0.139629D+01 -0.136949D+01  0.158279D+01
      3  -0.217963D+01 -0.188332D+01 -0.136949D+01  0.620984D+01  0.190620D+01
                11            12            13            14            15 
      1   0.158279D+01  0.190620D+01  0.302516D+01  0.149878D+01  0.354485D+00
      2   0.181816D+01  0.140065D+00  0.149878D+01 -0.256406D+01 -0.864125D+00
      3   0.140065D+00  0.122232D+01  0.354485D+00 -0.864125D+00  0.270323D+01
                16            17            18            19            20 
      1   0.335987D+01 -0.373985D+00  0.168796D+01  0.136128D+01 -0.139120D+00
      2  -0.373985D+00 -0.165364D+00  0.375853D+01 -0.139120D+00 -0.202792D+01
      3   0.168796D+01  0.375853D+01 -0.624782D+01 -0.132191D+01  0.141191D+01
                21            22            23            24            25 
      1  -0.132191D+01  0.289292D+01 -0.353829D+01  0.176476D+01  0.615004D+00
      2   0.141191D+01 -0.353829D+01  0.471407D+01 -0.433780D+00  0.229518D+01
      3   0.218997D+00  0.176476D+01 -0.433780D+00 -0.196854D-01 -0.251987D+00
                26            27            28            29            30 
      1   0.229518D+01 -0.251987D+00  0.637318D+01  0.101598D+01 -0.217280D+01
      2  -0.765466D+00 -0.739307D+00  0.101598D+01  0.316983D+01 -0.633685D+00
      3  -0.739307D+00  0.784057D+00 -0.217280D+01 -0.633685D+00  0.140630D+01
                31            32            33            34            35 
      1  -0.167434D+01  0.398872D+01  0.417724D+00 -0.207753D+01 -0.115828D+01
      2   0.398872D+01 -0.171715D+00 -0.708380D+00 -0.115828D+01 -0.238988D+00
      3   0.417724D+00 -0.708380D+00  0.153440D+00  0.155678D+01  0.140542D+01
                36            37            38            39            40 
      1   0.155678D+01 -0.672455D+01  0.343619D+00 -0.190028D+01  0.266606D+01
      2   0.140542D+01  0.343619D+00  0.178681D+00 -0.462960D+00 -0.491671D+00
      3  -0.279415D+01 -0.190028D+01 -0.462960D+00  0.145134D+01 -0.739994D+00
                41            42            43            44            45 
      1  -0.491671D+00 -0.739994D+00 -0.337957D+01 -0.837629D+00  0.741926D+00
      2   0.756032D+00 -0.702884D+00 -0.837629D+00 -0.129253D+01  0.140588D+01
      3  -0.702884D+00  0.205259D+01  0.741926D+00  0.140588D+01 -0.416333D+01
                46            47            48            49            50 
      1   0.440865D+01 -0.981057D+00  0.602899D-02 -0.512833D+00 -0.279517D+00
      2  -0.981057D+00  0.577255D+00  0.890446D-01 -0.279517D+00  0.278799D+01
      3   0.602899D-02  0.890446D-01 -0.127020D+01 -0.410676D+00 -0.132816D+01
                51            52            53            54            55 
      1  -0.410676D+00  0.122070D+00 -0.430988D+00 -0.125687D+01  0.498924D+01
      2  -0.132816D+01 -0.430988D+00 -0.317485D+01 -0.240212D+01 -0.391440D+01
      3  -0.215069D+01 -0.125687D+01 -0.240212D+01 -0.206596D+01  0.155794D+01
                56            57            58            59            60 
      1  -0.391440D+01  0.155794D+01 -0.605973D+01  0.396584D+01 -0.892921D+00
      2   0.331631D+01 -0.106572D+01  0.396584D+01 -0.106171D+02  0.151745D+01
      3  -0.106572D+01  0.102159D+01 -0.892921D+00  0.151745D+01 -0.227867D+01
                61            62            63            64            65 
      1   0.125081D+01 -0.853994D+00  0.203926D+01 -0.549007D+00 -0.698410D+00
      2  -0.853994D+00  0.116666D+01 -0.277535D+01 -0.698410D+00 -0.656661D+00
      3   0.203926D+01 -0.277535D+01  0.206745D+01  0.110532D+01  0.122068D+00
                66            67            68            69            70 
      1   0.110532D+01 -0.131101D+01 -0.637703D+00  0.226301D+00  0.113925D+01
      2   0.122068D+00 -0.637703D+00 -0.134226D+01  0.173578D+01  0.242462D+00
      3  -0.118486D+01  0.226301D+00  0.173578D+01 -0.214141D+01 -0.909653D+00
                71            72            73            74            75 
      1   0.242462D+00 -0.909653D+00 -0.987790D-01  0.330498D+00 -0.891630D+00
      2   0.250558D+01 -0.229855D+01  0.330498D+00  0.299160D+00  0.118226D+00
      3  -0.229855D+01  0.814537D+01 -0.891630D+00  0.118226D+00  0.108669D+01
                76            77            78            79            80 
      1   0.131765D+01  0.392555D+00  0.868864D-01 -0.144945D+01 -0.133108D+00
      2   0.392555D+00  0.145538D+00 -0.983623D+00 -0.133108D+00 -0.119214D+01
      3   0.868864D-01 -0.983623D+00  0.178351D+01  0.161818D+00  0.118885D+00
                81            82            83            84            85 
      1   0.161818D+00  0.638511D+00 -0.968516D+00  0.102669D+00 -0.139533D+01
      2   0.118885D+00 -0.968516D+00  0.103888D+01  0.259755D+00  0.609991D+00
      3  -0.811747D+01  0.102669D+00  0.259755D+00  0.431093D+00  0.528590D-01
                86            87            88            89            90 
      1   0.609991D+00  0.528590D-01  0.958923D+00  0.104964D+00  0.282677D+00
      2  -0.823743D+01 -0.680838D+00  0.104964D+00  0.595133D+00 -0.894839D+00
      3  -0.680838D+00 -0.917200D+00  0.282677D+00 -0.894839D+00 -0.459153D+00
                91            92            93            94            95 
      1  -0.276923D+01  0.188644D+01  0.100014D+01  0.393509D+01 -0.570309D+00
      2   0.188644D+01 -0.126436D+01 -0.653273D-01 -0.570309D+00  0.445515D+01
      3   0.100014D+01 -0.653273D-01 -0.322083D+00 -0.117076D+01 -0.983861D+00
                96            97            98            99           100 
      1  -0.117076D+01  0.128297D-01 -0.137940D+00  0.339422D+00 -0.674657D+01
      2  -0.983861D+00 -0.137940D+00 -0.102033D+01  0.939649D+00  0.245322D+01
      3   0.155389D+01  0.339422D+00  0.939649D+00 -0.159207D+01 -0.686662D+00
               101           102           103           104           105 
      1   0.245322D+01 -0.686662D+00  0.216864D+01 -0.174421D+01 -0.139741D+00
      2  -0.367262D+01 -0.163393D+00 -0.174421D+01  0.157935D+01  0.299745D-01
      3  -0.163393D+00 -0.113940D+01 -0.139741D+00  0.299745D-01  0.501793D+00
               106           107           108           109           110 
      1  -0.176448D+01  0.279473D+00 -0.295746D+00  0.500427D+00  0.785552D+00
      2   0.279473D+00 -0.639281D+00  0.562858D+00  0.785552D+00  0.100618D+01
      3  -0.295746D+00  0.562858D+00 -0.368479D+00  0.472963D+00  0.419502D+00
               111           112           113           114           115 
      1   0.472963D+00  0.741111D+00  0.144309D+00  0.466562D-01  0.824764D+00
      2   0.419502D+00  0.144309D+00  0.440791D+01  0.248008D+01  0.324284D+00
      3   0.148318D+01  0.466562D-01  0.248008D+01  0.291755D+01  0.650010D+00
               116           117           118           119           120 
      1   0.324284D+00  0.650010D+00 -0.291106D+01 -0.661033D+00  0.146560D+01
      2   0.400284D+01  0.370014D+01 -0.661033D+00 -0.834012D+00  0.422113D+00
      3   0.370014D+01  0.402494D+01  0.146560D+01  0.422113D+00 -0.174980D+01
               121           122           123           124           125 
      1  -0.172731D+01 -0.122344D+01  0.109022D+01  0.396650D+01  0.111217D+01
      2  -0.122344D+01 -0.109455D+01  0.107674D+01  0.111217D+01  0.161501D+01
      3   0.109022D+01  0.107674D+01 -0.197871D+01 -0.286228D+01 -0.141171D+01
               126 
      1  -0.286228D+01
      2  -0.141171D+01
      3   0.457677D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.628400D+00  0.131709D+01 -0.961137D+00 -0.965512D+00 -0.610603D+01
      2   0.579023D+00 -0.103360D+00  0.156282D+01  0.149453D+01 -0.791172D+00
      3  -0.219874D+01  0.195556D+01  0.709783D+00  0.470620D+01  0.793866D+01
                 6             7             8             9            10 
      1  -0.403227D+01 -0.896311D+00  0.144814D+01  0.605218D+01  0.393242D+00
      2   0.160435D+01 -0.185316D+01  0.393559D+00 -0.772338D+01  0.818225D+01
      3   0.930518D+00  0.152763D+01 -0.160080D+00 -0.184081D+00 -0.947227D+00
                11            12            13            14            15 
      1   0.363252D+00 -0.402158D+00 -0.299518D+01 -0.124007D+01  0.223124D+01
      2   0.881893D+00  0.318673D+01 -0.202449D+01 -0.497241D+00 -0.449726D+00
      3  -0.615870D+01 -0.157738D+01 -0.958512D+00 -0.261111D+01  0.255749D+01
                16            17            18            19            20 
      1   0.532718D+00  0.369022D+01  0.114250D+00  0.217226D+01  0.161432D+01
      2  -0.597364D+01  0.225488D+00  0.189242D+01 -0.105263D+02 -0.713155D+00
      3  -0.600341D+00 -0.321320D+00 -0.127177D+00  0.708629D+01  0.235094D+01
                21            22            23            24            25 
      1  -0.327074D+01  0.222327D+01  0.661055D+01  0.514078D+01  0.853017D+00
      2  -0.398503D+01 -0.335989D+01 -0.611206D+00  0.371439D+01 -0.144360D+02
      3  -0.212396D+00  0.555057D+01 -0.107047D+02 -0.221696D+01  0.251718D+01
                26            27            28            29            30 
      1   0.632569D+01 -0.709416D+01  0.242701D+01 -0.510747D+01 -0.249443D+01
      2   0.986102D+00  0.549784D+01  0.420035D+01 -0.336034D+01  0.639241D+01
      3  -0.209121D+01 -0.922948D+00  0.731819D+01 -0.143861D+02 -0.100217D+00
                31            32            33            34            35 
      1  -0.497069D+01  0.213791D+01 -0.260960D+01 -0.123056D+01  0.285584D+01
      2  -0.138025D+01  0.158582D+01  0.454853D-01  0.328084D+01  0.152018D+01
      3  -0.103116D+02  0.635818D+01  0.285647D+01 -0.146668D+01  0.109132D+01
                36            37            38            39            40 
      1   0.220764D+01 -0.506254D+00  0.135964D+00 -0.257123D+00  0.174899D+01
      2  -0.635730D+01  0.200888D+01  0.221901D+01  0.224357D+01  0.189554D+01
      3  -0.170179D+01  0.713297D+01 -0.789946D+01 -0.210708D+01  0.182591D+01
                41            42            43            44            45 
      1   0.672128D+00 -0.196794D+01 -0.138576D+01  0.148895D+01 -0.233017D+01
      2   0.170174D+01 -0.558853D+01 -0.788436D+01 -0.409624D+01  0.128118D+02
      3   0.487490D+01 -0.221470D+01 -0.186029D+01 -0.374457D+01  0.431185D+01
                46            47            48            49            50 
      1  -0.186556D+01  0.686318D+00  0.231808D+01  0.134759D+01  0.711111D+01
      2  -0.437267D+00 -0.418029D+00  0.333221D+01 -0.684781D-01  0.638941D+00
      3   0.125740D+02 -0.745672D+01  0.140640D+01  0.382158D+01  0.137585D+01
                51            52            53            54            55 
      1  -0.172167D+01  0.174215D+01  0.991578D+01  0.584043D+01 -0.854220D+00
      2   0.765164D+00 -0.322566D+01  0.603829D+00 -0.675173D-01  0.142442D+01
      3  -0.141159D+01  0.210308D+01 -0.959759D+00 -0.316077D+01 -0.132855D+01
                56            57            58            59            60 
      1   0.100326D+01  0.470525D+01  0.213519D+00 -0.319836D+01 -0.929365D+01
      2  -0.657824D+00  0.627421D+01  0.408780D+01  0.176465D+01 -0.574238D+01
      3  -0.775679D+01  0.149785D+01  0.511010D+01  0.165224D+02 -0.139468D+01
                61            62            63            64            65 
      1  -0.259663D+00  0.223744D+01  0.245964D+01  0.114885D+00 -0.720125D+00
      2   0.216010D+01 -0.409454D+01  0.179744D+01 -0.256723D+00  0.172460D-02
      3  -0.777662D+00 -0.740447D+00  0.451370D+01 -0.671769D+00 -0.423539D+00
                66            67            68            69            70 
      1  -0.171005D+00  0.387856D+00 -0.121518D+01 -0.740402D+00 -0.386159D+00
      2   0.100143D+01  0.794557D+00  0.175408D+00  0.647162D+00 -0.291518D+01
      3   0.425394D+00  0.230922D+01 -0.233152D-01 -0.255854D+00 -0.105028D+01
                71            72            73            74            75 
      1   0.377402D+01  0.142574D+01 -0.145631D+01 -0.677464D+00  0.423778D+00
      2   0.369909D+00 -0.108946D+01  0.167273D+01  0.221353D+00 -0.685205D+00
      3   0.982504D+00  0.149083D+00  0.214420D+00 -0.898595D+00  0.589505D+00
                76            77            78            79            80 
      1  -0.449923D+00 -0.107837D+01  0.115345D+01  0.199508D+00  0.364169D+01
      2   0.101418D+01  0.144371D+01 -0.198166D+01 -0.425895D+01 -0.473220D+00
      3   0.231443D+00 -0.386380D-01 -0.114447D+01  0.609584D+00 -0.908048D+00
                81            82            83            84            85 
      1  -0.644075D+01  0.142617D+01 -0.297692D+00  0.586277D+00 -0.312721D+00
      2   0.895921D+01  0.357633D+00 -0.498591D+00  0.462066D+00 -0.995058D+00
      3   0.338796D-01 -0.316198D+01  0.129571D+01 -0.339073D+00  0.560249D+01
                86            87            88            89            90 
      1   0.450871D+01 -0.328110D+01  0.365517D+00 -0.377764D+00  0.132228D+00
      2   0.150378D+01  0.684196D+00 -0.101235D+01  0.739814D+00  0.633886D+00
      3  -0.871649D+01 -0.736492D+00 -0.129504D+01  0.291640D+00 -0.106998D+01
                91            92            93            94            95 
      1  -0.391179D+01  0.422453D+01  0.229697D+00  0.489351D+01 -0.358205D+01
      2  -0.394891D+01  0.304735D+01 -0.180327D+01  0.203217D+01 -0.361656D+01
      3  -0.943600D+01  0.952733D+01  0.132349D+01  0.119118D+02 -0.124903D+02
                96            97            98            99           100 
      1  -0.229774D+01 -0.271418D+00  0.802711D+00  0.154221D+01  0.264196D+01
      2   0.221643D+01 -0.201304D+01  0.210166D+01 -0.214315D+00  0.570989D+00
      3  -0.676247D+00  0.589457D+00  0.283410D+00 -0.742061D+00 -0.153801D+02
               101           102           103           104           105 
      1  -0.111858D+01  0.296569D+01 -0.486624D-01  0.101742D+01 -0.979507D+00
      2  -0.223821D+00  0.236548D+01  0.965282D-01  0.454024D+00 -0.905558D+00
      3  -0.333985D+00 -0.167990D+01  0.250618D+01 -0.230137D+01 -0.720998D+00
               106           107           108           109           110 
      1   0.454651D+00 -0.432147D+00  0.924154D+00 -0.241908D+00 -0.121285D+01
      2  -0.535493D+00 -0.519461D+00  0.347845D+00 -0.427952D+00 -0.118547D+00
      3  -0.418530D+01  0.206554D+00  0.240147D+00  0.934706D+00  0.667779D+00
               111           112           113           114           115 
      1  -0.315141D+01  0.153968D+00 -0.380159D+01 -0.647751D+01 -0.964794D+00
      2  -0.214253D+00 -0.671359D+00 -0.725871D+00 -0.847993D+00 -0.206245D+01
      3   0.235568D+00  0.292230D+01  0.101690D+01  0.459558D+00  0.220900D+01
               116           117           118           119           120 
      1  -0.488110D+01 -0.811808D+01  0.288913D+00 -0.210553D+00 -0.520773D+00
      2  -0.952636D+00 -0.747992D+00 -0.463280D+01 -0.167037D+01  0.611562D+01
      3   0.136686D+01  0.224210D+01 -0.123552D+01 -0.259307D+01  0.122031D+01
               121           122           123           124           125 
      1   0.761286D-02 -0.443462D+00 -0.137288D+01  0.346475D+00  0.162013D+01
      2  -0.291577D+01 -0.302603D+01  0.583868D+01  0.682444D+01  0.409621D+01
      3  -0.132275D+01 -0.210166D+01  0.273402D+01  0.167966D+01  0.470315D+01
               126 
      1   0.189242D+01
      2  -0.145066D+02
      3  -0.358196D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227199D+02 -0.301567D+01 -0.297795D+01  0.444595D+01  0.161315D+02
      2   0.106980D+02  0.454798D+01 -0.733092D+00 -0.162662D+00 -0.214721D+02
      3   0.120219D+02 -0.153231D+01  0.371105D+01 -0.428329D+01  0.534055D+01
      4  -0.224045D+00 -0.163002D+01  0.879176D+00  0.925115D+01 -0.610194D+01
      5  -0.219483D+01  0.230920D+00 -0.227597D+01  0.176318D+01  0.992423D+00
      6   0.265876D+01  0.214759D+01  0.253175D+01  0.185668D+01 -0.238998D+00
                 6             7             8             9            10 
      1  -0.338222D+00  0.396873D+01 -0.906269D+00  0.136541D+02 -0.246954D+01
      2  -0.266773D+01 -0.230327D+01 -0.901231D+00  0.307908D+01  0.349968D+01
      3   0.300595D+01 -0.166546D+01  0.180750D+01 -0.167332D+02 -0.103014D+01
      4   0.688167D+00  0.498005D+01  0.299191D+01  0.583360D+01 -0.344940D+01
      5   0.355107D+01  0.646616D+01  0.253229D+01 -0.120258D+02  0.110369D+01
      6   0.306843D+01  0.305581D+01  0.152905D+01 -0.214221D+01 -0.222840D+01
                11            12            13            14            15 
      1  -0.202879D+01  0.315214D+00  0.591026D+00  0.713919D+01 -0.528439D+01
      2   0.405672D+01 -0.163158D+01  0.172870D+01 -0.578705D+01 -0.322726D+01
      3  -0.202792D+01  0.131637D+01 -0.231973D+01 -0.135214D+01  0.851166D+01
      4   0.465307D+01 -0.307818D+01 -0.888128D+01 -0.789307D+00  0.291215D+01
      5  -0.104718D+01  0.270620D+01 -0.135775D+00  0.221456D+01 -0.161289D+01
      6  -0.279860D+01  0.502042D+00  0.385637D+01  0.146172D+01 -0.118840D+02
                16            17            18            19            20 
      1  -0.439720D+01 -0.398403D+01  0.251938D+01 -0.150828D+01 -0.653024D+01
      2  -0.167761D+01 -0.491420D+01  0.126437D+02 -0.234809D+01  0.988200D+01
      3   0.607481D+01  0.889822D+01 -0.151630D+02  0.385638D+01 -0.335176D+01
      4  -0.279003D+01 -0.260658D+01 -0.474984D+01  0.671077D+01 -0.177376D+02
      5  -0.166251D+01 -0.254627D+01  0.839907D+01 -0.150468D+01  0.755188D+01
      6  -0.370227D+01  0.925256D+00  0.628583D+01  0.188072D+01  0.462663D+00
                21            22            23            24            25 
      1  -0.142655D+01  0.605320D+01 -0.284055D+01  0.863361D+00 -0.452493D+01
      2  -0.361970D+01 -0.231123D+01 -0.104780D+02 -0.658689D+01  0.188565D+01
      3   0.504625D+01 -0.374197D+01  0.133185D+02  0.572352D+01  0.263928D+01
      4   0.635220D+01 -0.258601D+02  0.201586D+02 -0.221377D+01  0.107176D+02
      5  -0.957958D+01  0.116086D+02 -0.349931D+01  0.724467D+01 -0.204160D+01
      6   0.312347D+01 -0.167127D+01  0.451888D+01 -0.859679D+01  0.764064D+00
                26            27            28            29            30 
      1   0.459308D+01 -0.451276D+01  0.308023D+02  0.408934D+01 -0.509531D+01
      2   0.204147D+01 -0.188073D+01 -0.191313D+02  0.367050D+00  0.799484D+01
      3  -0.663455D+01  0.639349D+01 -0.116710D+02 -0.445639D+01 -0.289953D+01
      4   0.292869D+01  0.215078D+01  0.179515D+02  0.176124D+02 -0.612462D+01
      5   0.139891D+01  0.381603D+01 -0.109548D+02 -0.472628D+01  0.147405D+02
      6   0.410747D+01  0.535919D+01 -0.303465D+01 -0.181540D+01  0.432115D+01
                31            32            33            34            35 
      1  -0.631029D+01  0.808385D+01  0.233520D+01  0.109795D+01 -0.122071D+01
      2   0.797377D+01 -0.747409D+00  0.174910D+00  0.162068D+01  0.114852D+01
      3  -0.166348D+01 -0.733644D+01 -0.251011D+01 -0.271863D+01  0.721965D-01
      4   0.157817D+02  0.880382D+01 -0.234979D+01 -0.561677D+01 -0.499144D+01
      5  -0.207634D+01 -0.378159D+01  0.151445D+01  0.140287D+02  0.576970D+01
      6  -0.904948D+00 -0.234881D+01  0.772286D+01  0.279674D+01  0.581223D+01
                36            37            38            39            40 
      1   0.952666D+00  0.485829D+02 -0.203516D+01  0.854524D+01 -0.134193D+02
      2  -0.998219D+01 -0.250203D+02  0.107577D+01 -0.461424D+01  0.867999D+01
      3   0.902952D+01 -0.235625D+02  0.959395D+00 -0.393100D+01  0.473931D+01
      4   0.682399D+01  0.201074D+01  0.109036D+02  0.540419D+01  0.607945D+01
      5  -0.145788D+02  0.120311D+02  0.377766D+01  0.428697D+01  0.367709D+01
      6  -0.429052D+01  0.229337D+01  0.793491D+00 -0.136494D+01  0.275571D+01
                41            42            43            44            45 
      1   0.402551D+00  0.293332D+01  0.120883D+02  0.260990D+01 -0.495869D+01
      2   0.430419D+01 -0.945616D+00 -0.833074D+01 -0.838377D+00 -0.558910D+00
      3  -0.470674D+01 -0.198771D+01 -0.375754D+01 -0.177152D+01  0.551760D+01
      4  -0.339308D+01  0.513473D+01  0.743118D+01  0.701679D+01 -0.858018D+01
      5   0.505257D+01 -0.947029D+01 -0.926971D+00 -0.799810D+01  0.223976D+02
      6   0.185998D+01  0.955257D+00 -0.247936D+01  0.115475D+01  0.618533D+01
                46            47            48            49            50 
      1   0.785064D+00  0.315916D+01 -0.285475D+01  0.158673D+01 -0.126905D+02
      2  -0.431468D+01 -0.697492D+00  0.307596D+01 -0.132188D+01  0.221484D+02
      3   0.352961D+01 -0.246167D+01 -0.221206D+00 -0.264848D+00 -0.945788D+01
      4   0.142743D+02 -0.487505D+01  0.108466D+01  0.330321D+01 -0.583683D+00
      5  -0.129863D+01 -0.752168D+00  0.592275D+01 -0.650440D+00 -0.133252D+00
      6   0.162452D+01 -0.260147D+00 -0.546939D+01 -0.422950D+01 -0.124222D+02
                51            52            53            54            55 
      1   0.775902D+01 -0.189260D+00  0.955901D+01  0.601475D+01  0.222063D+02
      2  -0.625485D+01  0.221947D+01 -0.806817D+01 -0.959221D+01 -0.756009D+01
      3  -0.150417D+01 -0.203021D+01 -0.149084D+01  0.357746D+01 -0.146462D+02
      4  -0.180690D+01  0.282292D+01  0.129414D+01 -0.206092D+01 -0.250176D+02
      5   0.889302D+00  0.431886D+01  0.480388D+00 -0.105993D+01  0.910027D+01
      6   0.196469D+00 -0.445699D+01 -0.823989D+01 -0.131729D+02 -0.257602D+01
                56            57            58            59            60 
      1  -0.830491D+01  0.277999D+01 -0.919984D+01 -0.861587D+01  0.177401D+01
      2  -0.323419D+01 -0.239812D+01 -0.223539D+01  0.303340D+02  0.118882D+00
      3   0.115391D+02 -0.381860D+00  0.114352D+02 -0.217181D+02 -0.189289D+01
      4   0.256231D+02 -0.546237D+01  0.317471D+02 -0.445594D+02  0.641117D+01
      5  -0.648657D+01  0.125836D+02 -0.604548D+01  0.856939D+01 -0.130249D+02
      6   0.200841D+01 -0.629696D+01  0.415878D+01 -0.485037D+01  0.137690D+02
                61            62            63            64            65 
      1   0.458942D+01  0.100376D+01 -0.509762D+00  0.584033D+00  0.573438D+00
      2  -0.264055D+01 -0.113262D+01 -0.162140D+01 -0.384670D+01 -0.145306D+01
      3  -0.194887D+01  0.128856D+00  0.213116D+01  0.326266D+01  0.879619D+00
      4  -0.533015D+01  0.453497D+01 -0.120388D+02  0.125838D+01  0.220963D+01
      5   0.136091D+02 -0.119595D+02  0.932743D+01 -0.255045D+01 -0.181005D+01
      6  -0.636981D+01  0.110034D+02 -0.572169D+01 -0.159636D+01 -0.451935D+00
                66            67            68            69            70 
      1  -0.487673D+00 -0.111872D+00 -0.461341D+01  0.419839D+01  0.146982D+01
      2   0.198367D+01 -0.114709D+01 -0.264716D+00  0.246302D+01  0.218564D+01
      3  -0.149600D+01  0.125896D+01  0.487813D+01 -0.666141D+01 -0.365546D+01
      4  -0.117331D+01  0.393173D+01  0.200904D+01 -0.199186D+01 -0.143059D+01
      5   0.727091D+01 -0.202058D+01 -0.182160D+01  0.270027D+01  0.592345D+01
      6   0.658799D+00 -0.171210D+01 -0.546497D+01  0.951593D+01  0.213801D+01
                71            72            73            74            75 
      1   0.324234D+01 -0.166944D+02  0.116687D+01 -0.470746D+00  0.382235D+01
      2   0.552008D+01 -0.172128D+02 -0.375358D+01  0.104362D+00  0.989739D-01
      3  -0.876242D+01  0.339072D+02  0.258672D+01  0.366385D+00 -0.392132D+01
      4  -0.164122D+01  0.266010D+01 -0.502849D+00  0.554605D+00  0.652484D+00
      5   0.189636D+01 -0.693481D+01  0.562506D+00 -0.450011D+00  0.447671D+01
      6   0.667076D+01 -0.902598D+01 -0.444059D-01 -0.885308D+00 -0.794169D+00
                76            77            78            79            80 
      1  -0.256785D+01 -0.430243D+01  0.205382D+01  0.490553D+01  0.907644D-01
      2   0.136415D+01  0.181844D+01  0.254665D+01 -0.184572D+01  0.181216D+01
      3   0.120369D+01  0.248399D+01 -0.460046D+01 -0.305981D+01 -0.190293D+01
      4  -0.801258D+00 -0.918268D+00  0.248258D+01  0.140898D+01  0.224585D+01
      5  -0.407468D+00  0.196207D+01 -0.360099D+01  0.401538D+01 -0.406573D+00
      6   0.119398D+00 -0.817493D+00  0.391051D+01 -0.264835D+00  0.422362D+01
                81            82            83            84            85 
      1  -0.180729D+02 -0.137011D+01  0.486206D+01  0.356347D+00  0.570277D+01
      2  -0.127029D+02  0.385253D+01 -0.449847D+01  0.255731D-02 -0.453200D+01
      3   0.307758D+02 -0.248243D+01 -0.363588D+00 -0.358904D+00 -0.117077D+01
      4  -0.217159D+01  0.769088D+00  0.397500D+01  0.685249D-01  0.390173D+01
      5   0.149170D+02 -0.341504D+00  0.820931D+00  0.620729D+00  0.880888D+00
      6   0.551863D+01  0.291740D+00 -0.810622D+00 -0.729944D+00 -0.531022D+00
                86            87            88            89            90 
      1  -0.224859D+02 -0.243185D+01 -0.130920D+01  0.554736D+00 -0.478445D+01
      2   0.354803D+02  0.169676D+01  0.105904D+01 -0.147978D+01  0.279486D+01
      3  -0.129944D+02  0.735088D+00  0.250158D+00  0.925039D+00  0.198959D+01
      4   0.139602D+02  0.995730D+00 -0.545307D+00 -0.135943D+01  0.951873D+00
      5   0.439193D+00  0.133149D+01  0.315752D+00  0.164072D+01  0.802591D+00
      6   0.569531D+01  0.550178D+01 -0.849167D+00  0.580364D+01  0.272340D+00
                91            92            93            94            95 
      1  -0.115409D+02  0.411868D+01  0.124058D+01  0.105904D+02 -0.880569D+01
      2   0.960914D+01 -0.127623D+01 -0.305282D+01 -0.615419D+01  0.105758D+02
      3   0.193173D+01 -0.284245D+01  0.181224D+01 -0.443620D+01 -0.177013D+01
      4  -0.120126D+01 -0.172046D+01  0.173426D+01  0.548433D+01  0.117758D+02
      5   0.277218D+01  0.463208D+00 -0.402944D+01 -0.276235D+01 -0.230243D+01
      6   0.188517D+01 -0.322389D-01  0.576967D+00 -0.266353D+01 -0.493625D+01
                96            97            98            99           100 
      1   0.511927D+00  0.862250D+00  0.301925D+01 -0.332366D+01  0.116528D+02
      2  -0.396030D+00 -0.738392D+00 -0.246781D+01  0.123259D+01 -0.215488D+00
      3  -0.115897D+00 -0.123858D+00 -0.551445D+00  0.209107D+01 -0.114373D+02
      4  -0.461201D+01  0.539798D-01 -0.165617D+01  0.204409D+01 -0.217602D+02
      5   0.458614D+01  0.135701D+01  0.195345D+01 -0.119271D+01 -0.916249D+00
      6   0.417400D+01  0.471793D+00  0.404267D+01 -0.451481D+01 -0.113555D+01
               101           102           103           104           105 
      1   0.164081D+01  0.294810D+01 -0.100051D+01  0.609493D+00  0.527439D-01
      2  -0.807603D+01 -0.687673D+00 -0.339888D+01  0.389977D+01 -0.391654D+00
      3   0.643522D+01 -0.226043D+01  0.439940D+01 -0.450926D+01  0.338910D+00
      4   0.150441D+02 -0.165037D+01  0.105842D+02 -0.672763D+01  0.486156D-01
      5   0.799515D+00  0.262487D+01  0.998161D+00 -0.304271D+00 -0.110815D+01
      6  -0.165055D+01 -0.451628D+01 -0.923934D+00  0.514382D+00  0.247292D+01
               106           107           108           109           110 
      1   0.114488D+01  0.138448D+00  0.549662D-01 -0.106672D+01 -0.261487D+01
      2  -0.257241D+00 -0.121581D+01 -0.186164D+00  0.127929D+01  0.214738D+01
      3  -0.887644D+00  0.107736D+01  0.131198D+00 -0.212563D+00  0.467491D+00
      4  -0.491908D+01  0.139572D+01 -0.151374D+01  0.507718D+00  0.405550D+01
      5   0.253144D+01 -0.109671D+01  0.250114D+00  0.600276D+00  0.200601D+01
      6  -0.756364D+00  0.272889D+01 -0.117090D+01  0.269727D+01  0.400644D+01
               111           112           113           114           115 
      1  -0.241734D+01 -0.150754D+01 -0.138654D+02 -0.892654D+01 -0.209540D+01
      2   0.883790D+00  0.111372D+01  0.160347D+02  0.883873D+01  0.646683D+00
      3   0.153355D+01  0.393820D+00 -0.216933D+01  0.878095D-01  0.144871D+01
      4   0.285904D+01  0.420335D+01 -0.212562D+01 -0.894474D+00  0.301484D+01
      5   0.214838D+01  0.100730D+01 -0.132909D+01 -0.214414D+01  0.247976D+01
      6   0.557246D+01  0.440622D+00  0.172107D+02  0.165731D+02  0.263099D+01
               116           117           118           119           120 
      1  -0.135395D+02 -0.144350D+02  0.153085D+02  0.415540D+01 -0.803869D+01
      2   0.107379D+02  0.726077D+01 -0.795507D+01 -0.174503D+01  0.434268D+01
      3   0.280163D+01  0.717428D+01 -0.735339D+01 -0.241036D+01  0.369601D+01
      4  -0.125006D+01  0.255654D+00  0.687166D+01  0.555058D+01 -0.433094D+01
      5  -0.188774D+01 -0.116785D+01 -0.887671D+01 -0.316312D+01  0.110021D+02
      6   0.204554D+02  0.210763D+02 -0.271616D+01 -0.713783D+00  0.188505D+01
               121           122           123           124           125 
      1   0.634789D+01  0.304077D+01 -0.364394D+01 -0.159656D+02 -0.330396D+01
      2  -0.199851D+01 -0.221759D+00  0.917400D+00  0.982160D+01  0.161474D+01
      3  -0.434938D+01 -0.281901D+01  0.272654D+01  0.614405D+01  0.168922D+01
      4   0.908457D+01  0.669039D+01 -0.727217D+01 -0.979762D+01 -0.890315D+01
      5  -0.583675D+01 -0.605868D+01  0.914395D+01  0.173954D+02  0.842197D+01
      6  -0.301912D+01 -0.296711D+01  0.511913D+01  0.522027D+01  0.400121D+01
               126 
      1   0.909670D+01
      2  -0.827282D+01
      3  -0.823877D+00
      4   0.103950D+02
      5  -0.254177D+02
      6  -0.744383D+01
 Leave Link  716 at Thu Aug 12 19:41:32 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.678099D+02 -0.180113D+01 -0.246785D+01
      2  -0.180113D+01  0.642185D+02 -0.278526D+01
      3  -0.246785D+01 -0.278526D+01  0.524987D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.309621D+01  0.761375D+00 -0.129320D+01
      2  -0.264781D+01 -0.622663D+01 -0.107428D+02
      3   0.719447D+01 -0.273184D+01  0.375782D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.316555D+02 -0.145302D+02 -0.887836D+01
      2   0.200745D+02  0.120664D+02  0.353950D+01
      3   0.115810D+02  0.246381D+01  0.533886D+01
      4  -0.110881D+02  0.677193D+01 -0.160105D+02
      5  -0.588666D+00 -0.168802D+02 -0.177546D+02
      6  -0.754014D+01  0.110041D+02  0.615153D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.996961D+00 -0.103558D+01 -0.643591D+00 -0.406609D+01 -0.211505D+01
      2  -0.103558D+01 -0.294889D+01 -0.591606D+00 -0.211505D+01  0.518111D+01
      3  -0.643591D+00 -0.591606D+00 -0.265516D+01 -0.685799D+00 -0.154371D+00
                 6             7             8             9            10 
      1  -0.685799D+00 -0.357900D+01 -0.432603D+00 -0.188332D+01  0.530950D+00
      2  -0.154371D+00 -0.432603D+00 -0.139629D+01 -0.136949D+01  0.158279D+01
      3  -0.217963D+01 -0.188332D+01 -0.136949D+01  0.620984D+01  0.190620D+01
                11            12            13            14            15 
      1   0.158279D+01  0.190620D+01  0.302516D+01  0.149878D+01  0.354485D+00
      2   0.181816D+01  0.140065D+00  0.149878D+01 -0.256406D+01 -0.864125D+00
      3   0.140065D+00  0.122232D+01  0.354485D+00 -0.864125D+00  0.270323D+01
                16            17            18            19            20 
      1   0.335987D+01 -0.373985D+00  0.168796D+01  0.136128D+01 -0.139120D+00
      2  -0.373985D+00 -0.165364D+00  0.375853D+01 -0.139120D+00 -0.202792D+01
      3   0.168796D+01  0.375853D+01 -0.624782D+01 -0.132191D+01  0.141191D+01
                21            22            23            24            25 
      1  -0.132191D+01  0.289292D+01 -0.353829D+01  0.176476D+01  0.615004D+00
      2   0.141191D+01 -0.353829D+01  0.471407D+01 -0.433780D+00  0.229518D+01
      3   0.218997D+00  0.176476D+01 -0.433780D+00 -0.196854D-01 -0.251987D+00
                26            27            28            29            30 
      1   0.229518D+01 -0.251987D+00  0.637318D+01  0.101598D+01 -0.217280D+01
      2  -0.765466D+00 -0.739307D+00  0.101598D+01  0.316983D+01 -0.633685D+00
      3  -0.739307D+00  0.784057D+00 -0.217280D+01 -0.633685D+00  0.140630D+01
                31            32            33            34            35 
      1  -0.167434D+01  0.398872D+01  0.417724D+00 -0.207753D+01 -0.115828D+01
      2   0.398872D+01 -0.171715D+00 -0.708380D+00 -0.115828D+01 -0.238988D+00
      3   0.417724D+00 -0.708380D+00  0.153440D+00  0.155678D+01  0.140542D+01
                36            37            38            39            40 
      1   0.155678D+01 -0.672455D+01  0.343619D+00 -0.190028D+01  0.266606D+01
      2   0.140542D+01  0.343619D+00  0.178681D+00 -0.462960D+00 -0.491671D+00
      3  -0.279415D+01 -0.190028D+01 -0.462960D+00  0.145134D+01 -0.739994D+00
                41            42            43            44            45 
      1  -0.491671D+00 -0.739994D+00 -0.337957D+01 -0.837629D+00  0.741926D+00
      2   0.756032D+00 -0.702884D+00 -0.837629D+00 -0.129253D+01  0.140588D+01
      3  -0.702884D+00  0.205259D+01  0.741926D+00  0.140588D+01 -0.416333D+01
                46            47            48            49            50 
      1   0.440865D+01 -0.981057D+00  0.602899D-02 -0.512833D+00 -0.279517D+00
      2  -0.981057D+00  0.577255D+00  0.890446D-01 -0.279517D+00  0.278799D+01
      3   0.602899D-02  0.890446D-01 -0.127020D+01 -0.410676D+00 -0.132816D+01
                51            52            53            54            55 
      1  -0.410676D+00  0.122070D+00 -0.430988D+00 -0.125687D+01  0.498924D+01
      2  -0.132816D+01 -0.430988D+00 -0.317485D+01 -0.240212D+01 -0.391440D+01
      3  -0.215069D+01 -0.125687D+01 -0.240212D+01 -0.206596D+01  0.155794D+01
                56            57            58            59            60 
      1  -0.391440D+01  0.155794D+01 -0.605973D+01  0.396584D+01 -0.892921D+00
      2   0.331631D+01 -0.106572D+01  0.396584D+01 -0.106171D+02  0.151745D+01
      3  -0.106572D+01  0.102159D+01 -0.892921D+00  0.151745D+01 -0.227867D+01
                61            62            63            64            65 
      1   0.125081D+01 -0.853994D+00  0.203926D+01 -0.549007D+00 -0.698410D+00
      2  -0.853994D+00  0.116666D+01 -0.277535D+01 -0.698410D+00 -0.656661D+00
      3   0.203926D+01 -0.277535D+01  0.206745D+01  0.110532D+01  0.122068D+00
                66            67            68            69            70 
      1   0.110532D+01 -0.131101D+01 -0.637703D+00  0.226301D+00  0.113925D+01
      2   0.122068D+00 -0.637703D+00 -0.134226D+01  0.173578D+01  0.242462D+00
      3  -0.118486D+01  0.226301D+00  0.173578D+01 -0.214141D+01 -0.909653D+00
                71            72            73            74            75 
      1   0.242462D+00 -0.909653D+00 -0.987790D-01  0.330498D+00 -0.891630D+00
      2   0.250558D+01 -0.229855D+01  0.330498D+00  0.299160D+00  0.118226D+00
      3  -0.229855D+01  0.814537D+01 -0.891630D+00  0.118226D+00  0.108669D+01
                76            77            78            79            80 
      1   0.131765D+01  0.392555D+00  0.868864D-01 -0.144945D+01 -0.133108D+00
      2   0.392555D+00  0.145538D+00 -0.983623D+00 -0.133108D+00 -0.119214D+01
      3   0.868864D-01 -0.983623D+00  0.178351D+01  0.161818D+00  0.118885D+00
                81            82            83            84            85 
      1   0.161818D+00  0.638511D+00 -0.968516D+00  0.102669D+00 -0.139533D+01
      2   0.118885D+00 -0.968516D+00  0.103888D+01  0.259755D+00  0.609991D+00
      3  -0.811747D+01  0.102669D+00  0.259755D+00  0.431093D+00  0.528590D-01
                86            87            88            89            90 
      1   0.609991D+00  0.528590D-01  0.958923D+00  0.104964D+00  0.282677D+00
      2  -0.823743D+01 -0.680838D+00  0.104964D+00  0.595133D+00 -0.894839D+00
      3  -0.680838D+00 -0.917200D+00  0.282677D+00 -0.894839D+00 -0.459153D+00
                91            92            93            94            95 
      1  -0.276923D+01  0.188644D+01  0.100014D+01  0.393509D+01 -0.570309D+00
      2   0.188644D+01 -0.126436D+01 -0.653273D-01 -0.570309D+00  0.445515D+01
      3   0.100014D+01 -0.653273D-01 -0.322083D+00 -0.117076D+01 -0.983861D+00
                96            97            98            99           100 
      1  -0.117076D+01  0.128297D-01 -0.137940D+00  0.339422D+00 -0.674657D+01
      2  -0.983861D+00 -0.137940D+00 -0.102033D+01  0.939649D+00  0.245322D+01
      3   0.155389D+01  0.339422D+00  0.939649D+00 -0.159207D+01 -0.686662D+00
               101           102           103           104           105 
      1   0.245322D+01 -0.686662D+00  0.216864D+01 -0.174421D+01 -0.139741D+00
      2  -0.367262D+01 -0.163393D+00 -0.174421D+01  0.157935D+01  0.299745D-01
      3  -0.163393D+00 -0.113940D+01 -0.139741D+00  0.299745D-01  0.501793D+00
               106           107           108           109           110 
      1  -0.176448D+01  0.279473D+00 -0.295746D+00  0.500427D+00  0.785552D+00
      2   0.279473D+00 -0.639281D+00  0.562858D+00  0.785552D+00  0.100618D+01
      3  -0.295746D+00  0.562858D+00 -0.368479D+00  0.472963D+00  0.419502D+00
               111           112           113           114           115 
      1   0.472963D+00  0.741111D+00  0.144309D+00  0.466562D-01  0.824764D+00
      2   0.419502D+00  0.144309D+00  0.440791D+01  0.248008D+01  0.324284D+00
      3   0.148318D+01  0.466562D-01  0.248008D+01  0.291755D+01  0.650010D+00
               116           117           118           119           120 
      1   0.324284D+00  0.650010D+00 -0.291106D+01 -0.661033D+00  0.146560D+01
      2   0.400284D+01  0.370014D+01 -0.661033D+00 -0.834012D+00  0.422113D+00
      3   0.370014D+01  0.402494D+01  0.146560D+01  0.422113D+00 -0.174980D+01
               121           122           123           124           125 
      1  -0.172731D+01 -0.122344D+01  0.109022D+01  0.396650D+01  0.111217D+01
      2  -0.122344D+01 -0.109455D+01  0.107674D+01  0.111217D+01  0.161501D+01
      3   0.109022D+01  0.107674D+01 -0.197871D+01 -0.286228D+01 -0.141171D+01
               126 
      1  -0.286228D+01
      2  -0.141171D+01
      3   0.457677D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.628400D+00  0.131709D+01 -0.961137D+00 -0.965512D+00 -0.610603D+01
      2   0.579023D+00 -0.103360D+00  0.156282D+01  0.149453D+01 -0.791172D+00
      3  -0.219874D+01  0.195556D+01  0.709783D+00  0.470620D+01  0.793866D+01
                 6             7             8             9            10 
      1  -0.403227D+01 -0.896311D+00  0.144814D+01  0.605218D+01  0.393242D+00
      2   0.160435D+01 -0.185316D+01  0.393559D+00 -0.772338D+01  0.818225D+01
      3   0.930518D+00  0.152763D+01 -0.160080D+00 -0.184081D+00 -0.947227D+00
                11            12            13            14            15 
      1   0.363252D+00 -0.402158D+00 -0.299518D+01 -0.124007D+01  0.223124D+01
      2   0.881893D+00  0.318673D+01 -0.202449D+01 -0.497241D+00 -0.449726D+00
      3  -0.615870D+01 -0.157738D+01 -0.958512D+00 -0.261111D+01  0.255749D+01
                16            17            18            19            20 
      1   0.532718D+00  0.369022D+01  0.114250D+00  0.217226D+01  0.161432D+01
      2  -0.597364D+01  0.225488D+00  0.189242D+01 -0.105263D+02 -0.713155D+00
      3  -0.600341D+00 -0.321320D+00 -0.127177D+00  0.708629D+01  0.235094D+01
                21            22            23            24            25 
      1  -0.327074D+01  0.222327D+01  0.661055D+01  0.514078D+01  0.853017D+00
      2  -0.398503D+01 -0.335989D+01 -0.611206D+00  0.371439D+01 -0.144360D+02
      3  -0.212396D+00  0.555057D+01 -0.107047D+02 -0.221696D+01  0.251718D+01
                26            27            28            29            30 
      1   0.632569D+01 -0.709416D+01  0.242701D+01 -0.510747D+01 -0.249443D+01
      2   0.986102D+00  0.549784D+01  0.420035D+01 -0.336034D+01  0.639241D+01
      3  -0.209121D+01 -0.922948D+00  0.731819D+01 -0.143861D+02 -0.100217D+00
                31            32            33            34            35 
      1  -0.497069D+01  0.213791D+01 -0.260960D+01 -0.123056D+01  0.285584D+01
      2  -0.138025D+01  0.158582D+01  0.454853D-01  0.328084D+01  0.152018D+01
      3  -0.103116D+02  0.635818D+01  0.285647D+01 -0.146668D+01  0.109132D+01
                36            37            38            39            40 
      1   0.220764D+01 -0.506254D+00  0.135964D+00 -0.257123D+00  0.174899D+01
      2  -0.635730D+01  0.200888D+01  0.221901D+01  0.224357D+01  0.189554D+01
      3  -0.170179D+01  0.713297D+01 -0.789946D+01 -0.210708D+01  0.182591D+01
                41            42            43            44            45 
      1   0.672128D+00 -0.196794D+01 -0.138576D+01  0.148895D+01 -0.233017D+01
      2   0.170174D+01 -0.558853D+01 -0.788436D+01 -0.409624D+01  0.128118D+02
      3   0.487490D+01 -0.221470D+01 -0.186029D+01 -0.374457D+01  0.431185D+01
                46            47            48            49            50 
      1  -0.186556D+01  0.686318D+00  0.231808D+01  0.134759D+01  0.711111D+01
      2  -0.437267D+00 -0.418029D+00  0.333221D+01 -0.684781D-01  0.638941D+00
      3   0.125740D+02 -0.745672D+01  0.140640D+01  0.382158D+01  0.137585D+01
                51            52            53            54            55 
      1  -0.172167D+01  0.174215D+01  0.991578D+01  0.584043D+01 -0.854220D+00
      2   0.765164D+00 -0.322566D+01  0.603829D+00 -0.675173D-01  0.142442D+01
      3  -0.141159D+01  0.210308D+01 -0.959759D+00 -0.316077D+01 -0.132855D+01
                56            57            58            59            60 
      1   0.100326D+01  0.470525D+01  0.213519D+00 -0.319836D+01 -0.929365D+01
      2  -0.657824D+00  0.627421D+01  0.408780D+01  0.176465D+01 -0.574238D+01
      3  -0.775679D+01  0.149785D+01  0.511010D+01  0.165224D+02 -0.139468D+01
                61            62            63            64            65 
      1  -0.259663D+00  0.223744D+01  0.245964D+01  0.114885D+00 -0.720125D+00
      2   0.216010D+01 -0.409454D+01  0.179744D+01 -0.256723D+00  0.172460D-02
      3  -0.777662D+00 -0.740447D+00  0.451370D+01 -0.671769D+00 -0.423539D+00
                66            67            68            69            70 
      1  -0.171005D+00  0.387856D+00 -0.121518D+01 -0.740402D+00 -0.386159D+00
      2   0.100143D+01  0.794557D+00  0.175408D+00  0.647162D+00 -0.291518D+01
      3   0.425394D+00  0.230922D+01 -0.233152D-01 -0.255854D+00 -0.105028D+01
                71            72            73            74            75 
      1   0.377402D+01  0.142574D+01 -0.145631D+01 -0.677464D+00  0.423778D+00
      2   0.369909D+00 -0.108946D+01  0.167273D+01  0.221353D+00 -0.685205D+00
      3   0.982504D+00  0.149083D+00  0.214420D+00 -0.898595D+00  0.589505D+00
                76            77            78            79            80 
      1  -0.449923D+00 -0.107837D+01  0.115345D+01  0.199508D+00  0.364169D+01
      2   0.101418D+01  0.144371D+01 -0.198166D+01 -0.425895D+01 -0.473220D+00
      3   0.231443D+00 -0.386380D-01 -0.114447D+01  0.609584D+00 -0.908048D+00
                81            82            83            84            85 
      1  -0.644075D+01  0.142617D+01 -0.297692D+00  0.586277D+00 -0.312721D+00
      2   0.895921D+01  0.357633D+00 -0.498591D+00  0.462066D+00 -0.995058D+00
      3   0.338796D-01 -0.316198D+01  0.129571D+01 -0.339073D+00  0.560249D+01
                86            87            88            89            90 
      1   0.450871D+01 -0.328110D+01  0.365517D+00 -0.377764D+00  0.132228D+00
      2   0.150378D+01  0.684196D+00 -0.101235D+01  0.739814D+00  0.633886D+00
      3  -0.871649D+01 -0.736492D+00 -0.129504D+01  0.291640D+00 -0.106998D+01
                91            92            93            94            95 
      1  -0.391179D+01  0.422453D+01  0.229697D+00  0.489351D+01 -0.358205D+01
      2  -0.394891D+01  0.304735D+01 -0.180327D+01  0.203217D+01 -0.361656D+01
      3  -0.943600D+01  0.952733D+01  0.132349D+01  0.119118D+02 -0.124903D+02
                96            97            98            99           100 
      1  -0.229774D+01 -0.271418D+00  0.802711D+00  0.154221D+01  0.264196D+01
      2   0.221643D+01 -0.201304D+01  0.210166D+01 -0.214315D+00  0.570989D+00
      3  -0.676247D+00  0.589457D+00  0.283410D+00 -0.742061D+00 -0.153801D+02
               101           102           103           104           105 
      1  -0.111858D+01  0.296569D+01 -0.486624D-01  0.101742D+01 -0.979507D+00
      2  -0.223821D+00  0.236548D+01  0.965282D-01  0.454024D+00 -0.905558D+00
      3  -0.333985D+00 -0.167990D+01  0.250618D+01 -0.230137D+01 -0.720998D+00
               106           107           108           109           110 
      1   0.454651D+00 -0.432147D+00  0.924154D+00 -0.241908D+00 -0.121285D+01
      2  -0.535493D+00 -0.519461D+00  0.347845D+00 -0.427952D+00 -0.118547D+00
      3  -0.418530D+01  0.206554D+00  0.240147D+00  0.934706D+00  0.667779D+00
               111           112           113           114           115 
      1  -0.315141D+01  0.153968D+00 -0.380159D+01 -0.647751D+01 -0.964794D+00
      2  -0.214253D+00 -0.671359D+00 -0.725871D+00 -0.847993D+00 -0.206245D+01
      3   0.235568D+00  0.292230D+01  0.101690D+01  0.459558D+00  0.220900D+01
               116           117           118           119           120 
      1  -0.488110D+01 -0.811808D+01  0.288913D+00 -0.210553D+00 -0.520773D+00
      2  -0.952636D+00 -0.747992D+00 -0.463280D+01 -0.167037D+01  0.611562D+01
      3   0.136686D+01  0.224210D+01 -0.123552D+01 -0.259307D+01  0.122031D+01
               121           122           123           124           125 
      1   0.761286D-02 -0.443462D+00 -0.137288D+01  0.346475D+00  0.162013D+01
      2  -0.291577D+01 -0.302603D+01  0.583868D+01  0.682444D+01  0.409621D+01
      3  -0.132275D+01 -0.210166D+01  0.273402D+01  0.167966D+01  0.470315D+01
               126 
      1   0.189242D+01
      2  -0.145066D+02
      3  -0.358196D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227199D+02 -0.301567D+01 -0.297795D+01  0.444595D+01  0.161315D+02
      2   0.106980D+02  0.454798D+01 -0.733092D+00 -0.162662D+00 -0.214721D+02
      3   0.120219D+02 -0.153231D+01  0.371105D+01 -0.428329D+01  0.534055D+01
      4  -0.224045D+00 -0.163002D+01  0.879176D+00  0.925115D+01 -0.610194D+01
      5  -0.219483D+01  0.230920D+00 -0.227597D+01  0.176318D+01  0.992423D+00
      6   0.265876D+01  0.214759D+01  0.253175D+01  0.185668D+01 -0.238998D+00
                 6             7             8             9            10 
      1  -0.338222D+00  0.396873D+01 -0.906269D+00  0.136541D+02 -0.246954D+01
      2  -0.266773D+01 -0.230327D+01 -0.901231D+00  0.307908D+01  0.349968D+01
      3   0.300595D+01 -0.166546D+01  0.180750D+01 -0.167332D+02 -0.103014D+01
      4   0.688167D+00  0.498005D+01  0.299191D+01  0.583360D+01 -0.344940D+01
      5   0.355107D+01  0.646616D+01  0.253229D+01 -0.120258D+02  0.110369D+01
      6   0.306843D+01  0.305581D+01  0.152905D+01 -0.214221D+01 -0.222840D+01
                11            12            13            14            15 
      1  -0.202879D+01  0.315214D+00  0.591026D+00  0.713919D+01 -0.528439D+01
      2   0.405672D+01 -0.163158D+01  0.172870D+01 -0.578705D+01 -0.322726D+01
      3  -0.202792D+01  0.131637D+01 -0.231973D+01 -0.135214D+01  0.851166D+01
      4   0.465307D+01 -0.307818D+01 -0.888128D+01 -0.789307D+00  0.291215D+01
      5  -0.104718D+01  0.270620D+01 -0.135775D+00  0.221456D+01 -0.161289D+01
      6  -0.279860D+01  0.502042D+00  0.385637D+01  0.146172D+01 -0.118840D+02
                16            17            18            19            20 
      1  -0.439720D+01 -0.398403D+01  0.251938D+01 -0.150828D+01 -0.653024D+01
      2  -0.167761D+01 -0.491420D+01  0.126437D+02 -0.234809D+01  0.988200D+01
      3   0.607481D+01  0.889822D+01 -0.151630D+02  0.385638D+01 -0.335176D+01
      4  -0.279003D+01 -0.260658D+01 -0.474984D+01  0.671077D+01 -0.177376D+02
      5  -0.166251D+01 -0.254627D+01  0.839907D+01 -0.150468D+01  0.755188D+01
      6  -0.370227D+01  0.925256D+00  0.628583D+01  0.188072D+01  0.462663D+00
                21            22            23            24            25 
      1  -0.142655D+01  0.605320D+01 -0.284055D+01  0.863361D+00 -0.452493D+01
      2  -0.361970D+01 -0.231123D+01 -0.104780D+02 -0.658689D+01  0.188565D+01
      3   0.504625D+01 -0.374197D+01  0.133185D+02  0.572352D+01  0.263928D+01
      4   0.635220D+01 -0.258601D+02  0.201586D+02 -0.221377D+01  0.107176D+02
      5  -0.957958D+01  0.116086D+02 -0.349931D+01  0.724467D+01 -0.204160D+01
      6   0.312347D+01 -0.167127D+01  0.451888D+01 -0.859679D+01  0.764064D+00
                26            27            28            29            30 
      1   0.459308D+01 -0.451276D+01  0.308023D+02  0.408934D+01 -0.509531D+01
      2   0.204147D+01 -0.188073D+01 -0.191313D+02  0.367050D+00  0.799484D+01
      3  -0.663455D+01  0.639349D+01 -0.116710D+02 -0.445639D+01 -0.289953D+01
      4   0.292869D+01  0.215078D+01  0.179515D+02  0.176124D+02 -0.612462D+01
      5   0.139891D+01  0.381603D+01 -0.109548D+02 -0.472628D+01  0.147405D+02
      6   0.410747D+01  0.535919D+01 -0.303465D+01 -0.181540D+01  0.432115D+01
                31            32            33            34            35 
      1  -0.631029D+01  0.808385D+01  0.233520D+01  0.109795D+01 -0.122071D+01
      2   0.797377D+01 -0.747409D+00  0.174910D+00  0.162068D+01  0.114852D+01
      3  -0.166348D+01 -0.733644D+01 -0.251011D+01 -0.271863D+01  0.721965D-01
      4   0.157817D+02  0.880382D+01 -0.234979D+01 -0.561677D+01 -0.499144D+01
      5  -0.207634D+01 -0.378159D+01  0.151445D+01  0.140287D+02  0.576970D+01
      6  -0.904948D+00 -0.234881D+01  0.772286D+01  0.279674D+01  0.581223D+01
                36            37            38            39            40 
      1   0.952666D+00  0.485829D+02 -0.203516D+01  0.854524D+01 -0.134193D+02
      2  -0.998219D+01 -0.250203D+02  0.107577D+01 -0.461424D+01  0.867999D+01
      3   0.902952D+01 -0.235625D+02  0.959395D+00 -0.393100D+01  0.473931D+01
      4   0.682399D+01  0.201074D+01  0.109036D+02  0.540419D+01  0.607945D+01
      5  -0.145788D+02  0.120311D+02  0.377766D+01  0.428697D+01  0.367709D+01
      6  -0.429052D+01  0.229337D+01  0.793491D+00 -0.136494D+01  0.275571D+01
                41            42            43            44            45 
      1   0.402551D+00  0.293332D+01  0.120883D+02  0.260990D+01 -0.495869D+01
      2   0.430419D+01 -0.945616D+00 -0.833074D+01 -0.838377D+00 -0.558910D+00
      3  -0.470674D+01 -0.198771D+01 -0.375754D+01 -0.177152D+01  0.551760D+01
      4  -0.339308D+01  0.513473D+01  0.743118D+01  0.701679D+01 -0.858018D+01
      5   0.505257D+01 -0.947029D+01 -0.926971D+00 -0.799810D+01  0.223976D+02
      6   0.185998D+01  0.955257D+00 -0.247936D+01  0.115475D+01  0.618533D+01
                46            47            48            49            50 
      1   0.785064D+00  0.315916D+01 -0.285475D+01  0.158673D+01 -0.126905D+02
      2  -0.431468D+01 -0.697492D+00  0.307596D+01 -0.132188D+01  0.221484D+02
      3   0.352961D+01 -0.246167D+01 -0.221206D+00 -0.264848D+00 -0.945788D+01
      4   0.142743D+02 -0.487505D+01  0.108466D+01  0.330321D+01 -0.583683D+00
      5  -0.129863D+01 -0.752168D+00  0.592275D+01 -0.650440D+00 -0.133252D+00
      6   0.162452D+01 -0.260147D+00 -0.546939D+01 -0.422950D+01 -0.124222D+02
                51            52            53            54            55 
      1   0.775902D+01 -0.189260D+00  0.955901D+01  0.601475D+01  0.222063D+02
      2  -0.625485D+01  0.221947D+01 -0.806817D+01 -0.959221D+01 -0.756009D+01
      3  -0.150417D+01 -0.203021D+01 -0.149084D+01  0.357746D+01 -0.146462D+02
      4  -0.180690D+01  0.282292D+01  0.129414D+01 -0.206092D+01 -0.250176D+02
      5   0.889302D+00  0.431886D+01  0.480388D+00 -0.105993D+01  0.910027D+01
      6   0.196469D+00 -0.445699D+01 -0.823989D+01 -0.131729D+02 -0.257602D+01
                56            57            58            59            60 
      1  -0.830491D+01  0.277999D+01 -0.919984D+01 -0.861587D+01  0.177401D+01
      2  -0.323419D+01 -0.239812D+01 -0.223539D+01  0.303340D+02  0.118882D+00
      3   0.115391D+02 -0.381860D+00  0.114352D+02 -0.217181D+02 -0.189289D+01
      4   0.256231D+02 -0.546237D+01  0.317471D+02 -0.445594D+02  0.641117D+01
      5  -0.648657D+01  0.125836D+02 -0.604548D+01  0.856939D+01 -0.130249D+02
      6   0.200841D+01 -0.629696D+01  0.415878D+01 -0.485037D+01  0.137690D+02
                61            62            63            64            65 
      1   0.458942D+01  0.100376D+01 -0.509762D+00  0.584033D+00  0.573438D+00
      2  -0.264055D+01 -0.113262D+01 -0.162140D+01 -0.384670D+01 -0.145306D+01
      3  -0.194887D+01  0.128856D+00  0.213116D+01  0.326266D+01  0.879619D+00
      4  -0.533015D+01  0.453497D+01 -0.120388D+02  0.125838D+01  0.220963D+01
      5   0.136091D+02 -0.119595D+02  0.932743D+01 -0.255045D+01 -0.181005D+01
      6  -0.636981D+01  0.110034D+02 -0.572169D+01 -0.159636D+01 -0.451935D+00
                66            67            68            69            70 
      1  -0.487673D+00 -0.111872D+00 -0.461341D+01  0.419839D+01  0.146982D+01
      2   0.198367D+01 -0.114709D+01 -0.264716D+00  0.246302D+01  0.218564D+01
      3  -0.149600D+01  0.125896D+01  0.487813D+01 -0.666141D+01 -0.365546D+01
      4  -0.117331D+01  0.393173D+01  0.200904D+01 -0.199186D+01 -0.143059D+01
      5   0.727091D+01 -0.202058D+01 -0.182160D+01  0.270027D+01  0.592345D+01
      6   0.658799D+00 -0.171210D+01 -0.546497D+01  0.951593D+01  0.213801D+01
                71            72            73            74            75 
      1   0.324234D+01 -0.166944D+02  0.116687D+01 -0.470746D+00  0.382235D+01
      2   0.552008D+01 -0.172128D+02 -0.375358D+01  0.104362D+00  0.989739D-01
      3  -0.876242D+01  0.339072D+02  0.258672D+01  0.366385D+00 -0.392132D+01
      4  -0.164122D+01  0.266010D+01 -0.502849D+00  0.554605D+00  0.652484D+00
      5   0.189636D+01 -0.693481D+01  0.562506D+00 -0.450011D+00  0.447671D+01
      6   0.667076D+01 -0.902598D+01 -0.444059D-01 -0.885308D+00 -0.794169D+00
                76            77            78            79            80 
      1  -0.256785D+01 -0.430243D+01  0.205382D+01  0.490553D+01  0.907644D-01
      2   0.136415D+01  0.181844D+01  0.254665D+01 -0.184572D+01  0.181216D+01
      3   0.120369D+01  0.248399D+01 -0.460046D+01 -0.305981D+01 -0.190293D+01
      4  -0.801258D+00 -0.918268D+00  0.248258D+01  0.140898D+01  0.224585D+01
      5  -0.407468D+00  0.196207D+01 -0.360099D+01  0.401538D+01 -0.406573D+00
      6   0.119398D+00 -0.817493D+00  0.391051D+01 -0.264835D+00  0.422362D+01
                81            82            83            84            85 
      1  -0.180729D+02 -0.137011D+01  0.486206D+01  0.356347D+00  0.570277D+01
      2  -0.127029D+02  0.385253D+01 -0.449847D+01  0.255731D-02 -0.453200D+01
      3   0.307758D+02 -0.248243D+01 -0.363588D+00 -0.358904D+00 -0.117077D+01
      4  -0.217159D+01  0.769088D+00  0.397500D+01  0.685249D-01  0.390173D+01
      5   0.149170D+02 -0.341504D+00  0.820931D+00  0.620729D+00  0.880888D+00
      6   0.551863D+01  0.291740D+00 -0.810622D+00 -0.729944D+00 -0.531022D+00
                86            87            88            89            90 
      1  -0.224859D+02 -0.243185D+01 -0.130920D+01  0.554736D+00 -0.478445D+01
      2   0.354803D+02  0.169676D+01  0.105904D+01 -0.147978D+01  0.279486D+01
      3  -0.129944D+02  0.735088D+00  0.250158D+00  0.925039D+00  0.198959D+01
      4   0.139602D+02  0.995730D+00 -0.545307D+00 -0.135943D+01  0.951873D+00
      5   0.439193D+00  0.133149D+01  0.315752D+00  0.164072D+01  0.802591D+00
      6   0.569531D+01  0.550178D+01 -0.849167D+00  0.580364D+01  0.272340D+00
                91            92            93            94            95 
      1  -0.115409D+02  0.411868D+01  0.124058D+01  0.105904D+02 -0.880569D+01
      2   0.960914D+01 -0.127623D+01 -0.305282D+01 -0.615419D+01  0.105758D+02
      3   0.193173D+01 -0.284245D+01  0.181224D+01 -0.443620D+01 -0.177013D+01
      4  -0.120126D+01 -0.172046D+01  0.173426D+01  0.548433D+01  0.117758D+02
      5   0.277218D+01  0.463208D+00 -0.402944D+01 -0.276235D+01 -0.230243D+01
      6   0.188517D+01 -0.322389D-01  0.576967D+00 -0.266353D+01 -0.493625D+01
                96            97            98            99           100 
      1   0.511927D+00  0.862250D+00  0.301925D+01 -0.332366D+01  0.116528D+02
      2  -0.396030D+00 -0.738392D+00 -0.246781D+01  0.123259D+01 -0.215488D+00
      3  -0.115897D+00 -0.123858D+00 -0.551445D+00  0.209107D+01 -0.114373D+02
      4  -0.461201D+01  0.539798D-01 -0.165617D+01  0.204409D+01 -0.217602D+02
      5   0.458614D+01  0.135701D+01  0.195345D+01 -0.119271D+01 -0.916249D+00
      6   0.417400D+01  0.471793D+00  0.404267D+01 -0.451481D+01 -0.113555D+01
               101           102           103           104           105 
      1   0.164081D+01  0.294810D+01 -0.100051D+01  0.609493D+00  0.527439D-01
      2  -0.807603D+01 -0.687673D+00 -0.339888D+01  0.389977D+01 -0.391654D+00
      3   0.643522D+01 -0.226043D+01  0.439940D+01 -0.450926D+01  0.338910D+00
      4   0.150441D+02 -0.165037D+01  0.105842D+02 -0.672763D+01  0.486156D-01
      5   0.799515D+00  0.262487D+01  0.998161D+00 -0.304271D+00 -0.110815D+01
      6  -0.165055D+01 -0.451628D+01 -0.923934D+00  0.514382D+00  0.247292D+01
               106           107           108           109           110 
      1   0.114488D+01  0.138448D+00  0.549662D-01 -0.106672D+01 -0.261487D+01
      2  -0.257241D+00 -0.121581D+01 -0.186164D+00  0.127929D+01  0.214738D+01
      3  -0.887644D+00  0.107736D+01  0.131198D+00 -0.212563D+00  0.467491D+00
      4  -0.491908D+01  0.139572D+01 -0.151374D+01  0.507718D+00  0.405550D+01
      5   0.253144D+01 -0.109671D+01  0.250114D+00  0.600276D+00  0.200601D+01
      6  -0.756364D+00  0.272889D+01 -0.117090D+01  0.269727D+01  0.400644D+01
               111           112           113           114           115 
      1  -0.241734D+01 -0.150754D+01 -0.138654D+02 -0.892654D+01 -0.209540D+01
      2   0.883790D+00  0.111372D+01  0.160347D+02  0.883873D+01  0.646683D+00
      3   0.153355D+01  0.393820D+00 -0.216933D+01  0.878095D-01  0.144871D+01
      4   0.285904D+01  0.420335D+01 -0.212562D+01 -0.894474D+00  0.301484D+01
      5   0.214838D+01  0.100730D+01 -0.132909D+01 -0.214414D+01  0.247976D+01
      6   0.557246D+01  0.440622D+00  0.172107D+02  0.165731D+02  0.263099D+01
               116           117           118           119           120 
      1  -0.135395D+02 -0.144350D+02  0.153085D+02  0.415540D+01 -0.803869D+01
      2   0.107379D+02  0.726077D+01 -0.795507D+01 -0.174503D+01  0.434268D+01
      3   0.280163D+01  0.717428D+01 -0.735339D+01 -0.241036D+01  0.369601D+01
      4  -0.125006D+01  0.255654D+00  0.687166D+01  0.555058D+01 -0.433094D+01
      5  -0.188774D+01 -0.116785D+01 -0.887671D+01 -0.316312D+01  0.110021D+02
      6   0.204554D+02  0.210763D+02 -0.271616D+01 -0.713783D+00  0.188505D+01
               121           122           123           124           125 
      1   0.634789D+01  0.304077D+01 -0.364394D+01 -0.159656D+02 -0.330396D+01
      2  -0.199851D+01 -0.221759D+00  0.917400D+00  0.982160D+01  0.161474D+01
      3  -0.434938D+01 -0.281901D+01  0.272654D+01  0.614405D+01  0.168922D+01
      4   0.908457D+01  0.669039D+01 -0.727217D+01 -0.979762D+01 -0.890315D+01
      5  -0.583675D+01 -0.605868D+01  0.914395D+01  0.173954D+02  0.842197D+01
      6  -0.301912D+01 -0.296711D+01  0.511913D+01  0.522027D+01  0.400121D+01
               126 
      1   0.909670D+01
      2  -0.827282D+01
      3  -0.823877D+00
      4   0.103950D+02
      5  -0.254177D+02
      6  -0.744383D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x         -0.140490D+01     -0.357091D+01     -0.119113D+02
   y          0.825060D+00      0.209709D+01      0.699515D+01
   z          0.696985D+00      0.177156D+01      0.590928D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.600536D+02      0.889902D+01      0.990150D+01
   yx        -0.174617D+01     -0.258755D+00     -0.287904D+00
   yy         0.574969D+02      0.852016D+01      0.947996D+01
   zx        -0.203351D+01     -0.301335D+00     -0.335280D+00
   zy        -0.255420D+01     -0.378493D+00     -0.421131D+00
   zz         0.466994D+02      0.692014D+01      0.769969D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.615090D+02      0.911470D+01      0.101415D+02
   aniso      0.156083D+02      0.231291D+01      0.257346D+01
   xx         0.678099D+02      0.100484D+02      0.111803D+02
   yx        -0.180113D+01     -0.266900D+00     -0.296966D+00
   yy         0.642185D+02      0.951619D+01      0.105882D+02
   zx        -0.246785D+01     -0.365697D+00     -0.406893D+00
   zy        -0.278526D+01     -0.412733D+00     -0.459227D+00
   zz         0.524987D+02      0.777950D+01      0.865587D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.17951951         -1.26322649          0.79520561
     6          0.56296708         -0.32736233          0.73998527
     6          1.28956525          0.12530081         -2.03032785
     8          1.33973685          2.56629304         -2.68368791
     8         -3.05042541         -1.65104598          3.30547719
     7          0.76869236          2.01188673          2.19635093
     8          1.69407911         -1.56755846         -3.48584197
     1          1.78912746         -1.84155660          1.43804261
     1         -3.41206425          0.18252343         -0.00730789
     1         -2.33494878         -2.96740208         -0.35597159
     1          0.97142327          3.50125853         -1.11767282
     1         -0.50562739          2.00724919          3.62736022
     1          2.50918904          2.22141094          2.96242428
     1         -2.30315643         -3.17648985          3.96191848

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.177208D+01      0.450418D+01      0.150243D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.481301D+02      0.713214D+01      0.793558D+01
   yx         0.212314D+01      0.314616D+00      0.350058D+00
   yy         0.570645D+02      0.845609D+01      0.940867D+01
   zx        -0.492878D+01     -0.730370D+00     -0.812646D+00
   zy         0.113677D+01      0.168451D+00      0.187427D+00
   zz         0.590553D+02      0.875110D+01      0.973691D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.615090D+02      0.911470D+01      0.101415D+02
   aniso      0.156083D+02      0.231291D+01      0.257346D+01
   xx         0.540927D+02      0.801571D+01      0.891868D+01
   yx         0.247830D+01      0.367246D+00      0.408617D+00
   yy         0.639230D+02      0.947241D+01      0.105395D+02
   zx        -0.559931D+01     -0.829732D+00     -0.923201D+00
   zy         0.886106D+00      0.131307D+00      0.146099D+00
   zz         0.665114D+02      0.985598D+01      0.109663D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-1.143775,-0.674095,-0.437636\C,-0.192819,0.114958,0.4708
 53\C,1.243923,-0.263455,0.087563\O,1.874804,0.673356,-0.628783\O,-2.50
 4247,-0.351006,-0.184987\N,-0.416115,1.547904,0.283938\O,1.734731,-1.3
 21804,0.371413\H,-0.341797,-0.217774,1.50362\H,-0.962424,-0.398578,-1.
 477959\H,-0.944875,-1.741017,-0.322569\H,1.241903,1.425342,-0.687718\H
 ,-1.387261,1.719755,0.048304\H,-0.202584,2.074274,1.121954\H,-2.776443
 ,-0.766154,0.64098\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1538779
 \RMSD=4.086e-09\RMSF=1.028e-05\ZeroPoint=0.1136844\Thermal=0.1211532\D
 ipole=-1.4049035,0.8250596,0.696985\DipoleDeriv=0.9289545,0.0133719,-0
 .0372189,0.1029724,0.260667,0.0313829,0.0150374,0.0389665,0.2828553,-0
 .2355468,-0.1204657,0.0300617,-0.1350973,0.4628056,-0.0698382,-0.09439
 83,-0.0205859,0.1786425,1.1705107,-0.0337252,-0.2211356,-0.2790103,1.4
 675541,-0.5336504,-0.2813519,-0.5952522,0.5477189,-0.7200978,-0.287504
 4,0.2633508,-0.0177053,-0.9527645,0.262741,0.2011771,0.4299543,-0.5477
 868,-1.0652739,-0.0550072,0.0305184,-0.0315404,-0.449546,-0.1241299,0.
 0755629,-0.1319043,-0.3127659,-0.4987458,0.0209003,0.0971047,0.0476273
 ,-0.6727965,0.0731956,0.0891397,0.0545511,-0.3467685,-0.7312008,0.3360
 755,-0.0584447,0.2765652,-1.0077035,0.2213689,0.0190378,0.1658812,-0.4
 464617,0.0290002,0.0119216,0.0240147,-0.0001683,-0.0652059,0.0527264,0
 .0330746,0.0711944,-0.1049067,-0.0027528,-0.0126111,0.0219359,-0.01095
 99,0.0538275,0.0646197,0.0271862,0.0171704,-0.0787182,-0.0112574,0.014
 213,0.0082,0.037992,-0.100496,-0.0125829,-0.0040747,0.0258885,0.057628
 5,0.5046977,-0.0791203,-0.0922537,-0.0739704,0.3582785,0.0124923,-0.09
 5765,0.0021762,0.2984044,0.1139059,0.0831019,-0.008019,0.0077894,0.216
 2906,-0.0305178,0.0550044,-0.0565781,0.2136463,0.2011503,0.0528684,-0.
 0299015,0.0233677,0.1563824,-0.018774,-0.0484944,-0.0771415,0.0977919,
 0.3166561,0.0559814,-0.0282129,0.0521378,0.2727067,0.0709664,0.0088643
 ,0.0756793,0.16072\Polar=60.0535859,-1.7461669,57.4968899,-2.0335077,-
 2.5541993,46.6994175\Quadrupole=-5.3481431,2.0675949,3.2805482,3.81056
 7,-2.6574319,1.5238063\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.43392120,-0.026
 00989,0.58832314,-0.03539649,-0.06465261,0.57469005,-0.08257837,-0.011
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 Other things may change us, but we start and end with family.
 -- Anthony Brandt
 Job cpu time:       0 days  0 hours 49 minutes 50.8 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 15.6 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:41:33 2021.
